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114380-31-3 | 3-(4-Chlorophenyl)oxirane-2-carboxylic acid
CAS No: 114380-31-3 Catalog No: AG01FATR MDL No:
Product Description
Catalog Number:
AG01FATR
Chemical Name:
3-(4-Chlorophenyl)oxirane-2-carboxylic acid
CAS Number:
114380-31-3
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
3-(4-chlorophenyl)oxirane-2-carboxylic acid
InChI:
InChI=1S/C9H7ClO3/c10-6-3-1-5(2-4-6)7-8(13-7)9(11)12/h1-4,7-8H,(H,11,12)
InChI Key:
AQTUCNUJOLMJMH-UHFFFAOYSA-N
SMILES:
OC(=O)C1OC1c1ccc(cc1)Cl
Properties
Complexity:
211
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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