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Home> Hot Product Listed A   > AKOS004116189
1477-50-5 structure

AKOS004116189

Iupac Name:1H-indole-2-carboxylic acid
CAS No.:1477-50-5
Molecular Weight:161.15738
Molecular Formula:C46H66O7 (isomer)
Names and Identifiers
Synonyms

3'-formyl-4'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylic acid 4-(3-carboxyphenyl)-2-formylphenol AK499145 bdbm111308 CHEMBL3660460 DTXSID20602404 mfcd06802123 SCHEMBL6638046 us8614253, 327 us8614253, 43-68 ZINC16946460

Inchi
InChI=1/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChkey
HCUARRIEZVDMPT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=C(N2)C(=O)O
Properties
Melting Point
205-209℃
Vapour
8.6E-08mmHg at 25°C
HS Code
29339990
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 1477-50-5 EC: AKOS004116189 ·ECHA C&L Inventory for CAS: CAS: 1477-50-5 EC: AKOS004116189
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:161.15738g/mol
  • Molecular Formula:C46H66O7
  • XLogP3-AA:2.3
  • Exact Mass:161.047678
  • Monoisotopic Mass:161.047678
  • Complexity:193
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:53.1
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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  • Fax:+86-0592-5567629
  • Tel:86-571-85829152
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