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1797-74-6 | Benzeneacetic acid, 2-propen-1-yl ester
CAS No: 1797-74-6 Catalog No: AG002786 MDL No:MFCD00048176
Product Description
Catalog Number:
AG002786
Chemical Name:
Benzeneacetic acid, 2-propen-1-yl ester
CAS Number:
1797-74-6
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
MDL Number:
MFCD00048176
IUPAC Name:
prop-2-enyl 2-phenylacetate
InChI:
InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
InChI Key:
ZCDYAMJXVAUTIM-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)Cc1ccccc1
EC Number:
217-281-2
UNII:
3D2NBC7K7Q
NSC Number:
6574
FEMA Number:
2039
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Production and characterization of antifungal compounds produced by Lactobacillus plantarum IMAU10014. | PloS one 20120101 |
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