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131469-58-4 | 2-Oxiranecarboxylic acid, 2-benzoyl-, methyl ester
CAS No: 131469-58-4 Catalog No: AG000W8K MDL No:
Product Description
Catalog Number:
AG000W8K
Chemical Name:
2-Oxiranecarboxylic acid, 2-benzoyl-, methyl ester
CAS Number:
131469-58-4
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
methyl 2-benzoyloxirane-2-carboxylate
InChI:
InChI=1S/C11H10O4/c1-14-10(13)11(7-15-11)9(12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
WUDOEGUKYOMTKY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(OC1)C(=O)c1ccccc1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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