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13633-85-7 | 2-Propenoic acid, 3-methylphenyl ester
CAS No: 13633-85-7 Catalog No: AG0011OA MDL No:
Product Description
Catalog Number:
AG0011OA
Chemical Name:
2-Propenoic acid, 3-methylphenyl ester
CAS Number:
13633-85-7
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
(3-methylphenyl) prop-2-enoate
InChI:
InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InChI Key:
LPSGUCOEDCVQHQ-UHFFFAOYSA-N
SMILES:
C=CC(=O)Oc1cccc(c1)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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