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127273-12-5 | 2-Propenoic acid, 3-(4-chlorophenyl)-2-hydroxy-
CAS No: 127273-12-5 Catalog No: AG000WTK MDL No:
Product Description
Catalog Number:
AG000WTK
Chemical Name:
2-Propenoic acid, 3-(4-chlorophenyl)-2-hydroxy-
CAS Number:
127273-12-5
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
3-(4-chlorophenyl)-2-hydroxyprop-2-enoic acid
InChI:
InChI=1S/C9H7ClO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,11H,(H,12,13)
InChI Key:
LJIZTSRZWZUBJE-UHFFFAOYSA-N
SMILES:
OC(=Cc1ccc(cc1)Cl)C(=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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