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65405-77-8 | (Z);-Hex-3-en-1-yl 2-hydroxybenzoate
CAS No: 65405-77-8 Catalog No: AG003U6R MDL No:MFCD00036486
Product Description
Catalog Number:
AG003U6R
Chemical Name:
(Z);-Hex-3-en-1-yl 2-hydroxybenzoate
CAS Number:
65405-77-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD00036486
IUPAC Name:
[(Z)-hex-3-enyl] 2-hydroxybenzoate
InChI:
InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
InChI Key:
IEPWIPZLLIOZLU-ARJAWSKDSA-N
SMILES:
CC/C=C\CCOC(=O)c1ccccc1O
EC Number:
265-745-8
FEMA Number:
4750
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Fragrance material review on cis-3-hexenyl salicylate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101 |
| Allergic contact dermatitis from octisalate and cis-3-hexenyl salicylate. | Dermatitis : contact, atopic, occupational, drug 20060901 |
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