Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 2   > 2,4-Dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-6-oxo-2-octenyl]-6-methylbenzaldehyde
150-30-1 structure

2,4-Dihydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-6-oxo-2-octenyl]-6-methylbenzaldehyde

Iupac Name:2-amino-3-phenylpropanoic acid
CAS No.:150-30-1
Molecular Weight:165.192
Molecular Formula:C16H12CL2N2O3S (isomer)
Names and Identifiers
Synonyms

colletorin c

Inchi
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChkey
COLNVLDHVKWLRT-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)N
Properties
Melting Point
266-267℃
Vapour
0.000313mmHg at 25°C
Refractive Index
1.576
Flash Point
190.3°C
HS Code
29224995
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S24/25
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

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:165.192g/mol
  • Molecular Formula:C16H12CL2N2O3S
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.5
  • Exact Mass:165.079
  • Monoisotopic Mass:165.079
  • Complexity:153
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCI AiDSCAACAAAgAAAIiIGAAIgKIDKAkRGAYAAkkAAIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-571-85232161
  • Fax:86-571-85134895
  • Tel:86-519-68685399
  • Fax:86-519-85011778
  • Tel:86-22-59853797
  • Fax:86-22-58823400
Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
  • Tel:86-571-85232161
  • Fax:86-571-85134895
  • Tel:86-519-68685399
  • Fax:86-519-85011778
  • Tel:86-22-59853797
  • Fax:86-22-58823400
 
<