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198995-91-4 | Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester
CAS No: 198995-91-4 Catalog No: AG002BUG MDL No:MFCD11848894
Product Description
Catalog Number:
AG002BUG
Chemical Name:
Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester
CAS Number:
198995-91-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD11848894
IUPAC Name:
benzyl 3-oxocyclobutane-1-carboxylate
InChI:
InChI=1S/C12H12O3/c13-11-6-10(7-11)12(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
OPGPYIKNRCXNQY-UHFFFAOYSA-N
SMILES:
O=C(C1CC(=O)C1)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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