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124957-36-4 | Benzenepropanoic acid, β-(acetyloxy)-α-methylene-, methyl ester
CAS No: 124957-36-4 Catalog No: AG000MXD MDL No:MFCD07779180
Product Description
Catalog Number:
AG000MXD
Chemical Name:
Benzenepropanoic acid, β-(acetyloxy)-α-methylene-, methyl ester
CAS Number:
124957-36-4
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
MDL Number:
MFCD07779180
IUPAC Name:
methyl 2-[acetyloxy(phenyl)methyl]prop-2-enoate
InChI:
InChI=1S/C13H14O4/c1-9(13(15)16-3)12(17-10(2)14)11-7-5-4-6-8-11/h4-8,12H,1H2,2-3H3
InChI Key:
BCEVEYRXQTUYLG-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(c1ccccc1)OC(=O)C
Properties
Complexity:
303
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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