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2653-46-5 | Benzoic acid, 4-methyl-, 2-propen-1-yl ester
CAS No: 2653-46-5 Catalog No: AG002TLE MDL No:
Product Description
Catalog Number:
AG002TLE
Chemical Name:
Benzoic acid, 4-methyl-, 2-propen-1-yl ester
CAS Number:
2653-46-5
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
prop-2-enyl 4-methylbenzoate
InChI:
InChI=1S/C11H12O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChI Key:
GGJIQHHMXJIVPF-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)c1ccc(cc1)C
NSC Number:
38126
Properties
Complexity:
179
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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