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147670-82-4 | 2-Butenoic acid, 2-hydroxy-4-(4-methoxyphenyl)-4-oxo-, (2Z)-
CAS No: 147670-82-4 Catalog No: AG001F2O MDL No:
Product Description
Catalog Number:
AG001F2O
Chemical Name:
2-Butenoic acid, 2-hydroxy-4-(4-methoxyphenyl)-4-oxo-, (2Z)-
CAS Number:
147670-82-4
Molecular Formula:
C11H10O5
Molecular Weight:
222.1941
IUPAC Name:
4-hydroxy-4-(4-methoxyphenyl)-2-oxobut-3-enoic acid
InChI:
InChI=1S/C11H10O5/c1-16-8-4-2-7(3-5-8)9(12)6-10(13)11(14)15/h2-6,12H,1H3,(H,14,15)
InChI Key:
DXCCYGYXIGAHGX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)/C=C(/C(=O)O)\O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.196g/mol
Monoisotopic Mass:
222.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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