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122-63-4 | Propanoic acid, phenylmethyl ester
CAS No: 122-63-4 Catalog No: AG0016J0 MDL No:MFCD00027003
Product Description
Catalog Number:
AG0016J0
Chemical Name:
Propanoic acid, phenylmethyl ester
CAS Number:
122-63-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00027003
IUPAC Name:
benzyl propanoate
InChI:
InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
VHOMAPWVLKRQAZ-UHFFFAOYSA-N
SMILES:
CCC(=O)OCc1ccccc1
EC Number:
204-559-3
UNII:
307DN1208L
NSC Number:
46100
FEMA Number:
2150
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Fragrance material review on α-methylbenzyl acetate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
| Fragrance material review on benzyl propionate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901 |
| Full-scale chamber investigation and simulation of air freshener emissions in the presence of ozone. | Environmental science & technology 20040515 |
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