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131469-59-5 | 2-Oxiranecarboxylic acid, 2-(4-chlorobenzoyl)-, methyl ester
CAS No: 131469-59-5 Catalog No: AG000W8J MDL No:
Product Description
Catalog Number:
AG000W8J
Chemical Name:
2-Oxiranecarboxylic acid, 2-(4-chlorobenzoyl)-, methyl ester
CAS Number:
131469-59-5
Molecular Formula:
C11H9ClO4
Molecular Weight:
240.6398
IUPAC Name:
methyl 2-(4-chlorobenzoyl)oxirane-2-carboxylate
InChI:
InChI=1S/C11H9ClO4/c1-15-10(14)11(6-16-11)9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
InChI Key:
ZJWLWJYMTGPGLW-UHFFFAOYSA-N
SMILES:
COC(=O)C1(OC1)C(=O)c1ccc(cc1)Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.639g/mol
Monoisotopic Mass:
240.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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