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124957-35-3 | 4-Pentenoic acid, 3-hydroxy-2-methylene-5-phenyl-, methyl ester, (4E)-
CAS No: 124957-35-3 Catalog No: AG000MXE MDL No:
Product Description
Catalog Number:
AG000MXE
Chemical Name:
4-Pentenoic acid, 3-hydroxy-2-methylene-5-phenyl-, methyl ester, (4E)-
CAS Number:
124957-35-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
methyl 3-hydroxy-2-methylidene-5-phenylpent-4-enoate
InChI:
InChI=1S/C13H14O3/c1-10(13(15)16-2)12(14)9-8-11-6-4-3-5-7-11/h3-9,12,14H,1H2,2H3
InChI Key:
ZPRGUSJYYIEKBY-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(/C=C/c1ccccc1)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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