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845618-97-5 | Carbamic acid, (3-oxobutyl)phenyl-, methyl ester
CAS No: 845618-97-5 Catalog No: AG004UQ4 MDL No:
Product Description
Catalog Number:
AG004UQ4
Chemical Name:
Carbamic acid, (3-oxobutyl)phenyl-, methyl ester
CAS Number:
845618-97-5
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl N-(3-oxobutyl)-N-phenylcarbamate
InChI:
InChI=1S/C12H15NO3/c1-10(14)8-9-13(12(15)16-2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3
InChI Key:
KEQRGMFCRMNFEM-UHFFFAOYSA-N
SMILES:
COC(=O)N(c1ccccc1)CCC(=O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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