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Home> Hot Product Listed C   > Cyclopenta[cd]pyrene-3,4-diol,3,4-dihydro-, (3R,4R)-rel-
404-86-4 structure

Cyclopenta[cd]pyrene-3,4-diol,3,4-dihydro-, (3R,4R)-rel-

Iupac Name:(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CAS No.:404-86-4
Molecular Weight:305.41200
Molecular Formula:C24H28O2 (isomer)
Names and Identifiers
Synonyms

(2s,3s)-pentacyclo[12.3.1.0?,(1)?.0?,(1)?.0(1)?,(1)?]octadeca-1(18),4,6,8,10(15),11,13,16-octaene-2,3-diol (3s,4s)-3,4-dihydrocyclopenta[cd]pyrene-3,4-diol 3,4-dhdcpp 3,4-dihydroxy-3,4-dihydrocyclopenta(cd)pyrene AC1L3OZK AC1Q59X0 cis-3,4-Dihydrocyclopenta(cd)pyrene-3,4-diol CTK8E0364 cyclopenta(cd)pyrene-3,4-diol, 3,4-dihydro-, (3r,4r)-rel- Cyclopenta(cd)pyrene-3,4-diol, 3,4-dihydro-, cis- cyclopenta(cd)pyrene-3,4-diol, 3,4-dihydro-, trans- cyclopenta[cd]pyrene-3,4-diol, 3,4-dihydro- Cyclopenta[cd]pyrene-3,4-diol,3,4-dihydro-, trans- PL034675 trans-3,4-dihydrocyclopenta(cd)pyrene-3,4-diol trans-3,4-Dihydroxy-3,4-dihydrocyclopenta[cd]pyrene trans-cpp-3,4-diol

Inchi
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChkey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
Canonical Smiles
CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Isomers Smiles
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Properties
Density
0.918
Melting Point
62-65°C(lit.)
Boiling Point
110.9°Cat760mmHg
Flash Point
°C
HS Code
2932999099
Safety and Handling
Risk Statements
R25; R37/38; R41; R42/43
Safety Statements
S22-S26-S28-S36/39-S45
HazardClass
6.1(a)
PackingGroup
II
Transport
UN 2811 6.1/PG 2
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:305.41200g/mol
  • Molecular Formula:C24H28O2
  • Compound Is Canonicalized:True
  • Exact Mass:305.199
  • Monoisotopic Mass:305.199
  • Complexity:341
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:58.6A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADQTBmAYyBoLABgCI AiFSEACCCAAgIAAIiIEOjIgNJjKGsRuEcCtk1hGLuAe42BIOIAABAAAAQABAAAIAAACAAAAAAAAA AA==
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