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124957-42-2 | 2-Propenoic acid, 2-[(acetyloxy)methyl]-3-phenyl-, methyl ester, (2E)-
CAS No: 124957-42-2 Catalog No: AG000MXC MDL No:
Product Description
Catalog Number:
AG000MXC
Chemical Name:
2-Propenoic acid, 2-[(acetyloxy)methyl]-3-phenyl-, methyl ester, (2E)-
CAS Number:
124957-42-2
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
methyl 2-(acetyloxymethyl)-3-phenylprop-2-enoate
InChI:
InChI=1S/C13H14O4/c1-10(14)17-9-12(13(15)16-2)8-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key:
BETMVIATCLCGRE-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1ccccc1)/COC(=O)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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