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251965-92-1 | 2-Butenoic acid, 2-hydroxy-4-oxo-4-[3-(phenylmethoxy)phenyl]-
CAS No: 251965-92-1 Catalog No: AG002QU4 MDL No:
Product Description
Catalog Number:
AG002QU4
Chemical Name:
2-Butenoic acid, 2-hydroxy-4-oxo-4-[3-(phenylmethoxy)phenyl]-
CAS Number:
251965-92-1
Molecular Formula:
C17H14O5
Molecular Weight:
298.2901
IUPAC Name:
4-hydroxy-2-oxo-4-(3-phenylmethoxyphenyl)but-3-enoic acid
InChI:
InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-10,18H,11H2,(H,20,21)
InChI Key:
NJGMBFCAJFNIBI-UHFFFAOYSA-N
SMILES:
OC(=O)C(=CC(=O)c1cccc(c1)OCc1ccccc1)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.294g/mol
Monoisotopic Mass:
298.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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