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16801-63-1 | Benzyl (4-oxocyclohexyl)carbamate
CAS No: 16801-63-1 Catalog No: AG003SVZ MDL No:MFCD06658393
Product Description
Catalog Number:
AG003SVZ
Chemical Name:
Benzyl (4-oxocyclohexyl)carbamate
CAS Number:
16801-63-1
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD06658393
IUPAC Name:
benzyl N-(4-oxocyclohexyl)carbamate
InChI:
InChI=1S/C14H17NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChI Key:
VHXBIBFCJISKFA-UHFFFAOYSA-N
SMILES:
O=C(NC1CCC(=O)CC1)OCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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