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1000018-26-7 | Carbamic acid, N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)-, methyl ester
CAS No: 1000018-26-7 Catalog No: AG000091 MDL No:MFCD09864844
Product Description
Catalog Number:
AG000091
Chemical Name:
Carbamic acid, N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)-, methyl ester
CAS Number:
1000018-26-7
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
MDL Number:
MFCD09864844
IUPAC Name:
methyl N-(2,2,4-trimethyl-3-oxo-1-phenylpentyl)carbamate
InChI:
InChI=1S/C16H23NO3/c1-11(2)14(18)16(3,4)13(17-15(19)20-5)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19)
InChI Key:
JYMRVVBXWDNNKU-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(C(=O)C(C)C)(C)C)c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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