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88031-97-4 | Carbamic acid, (3-methylphenyl)-, dodecyl ester
CAS No: 88031-97-4 Catalog No: AG004GGE MDL No:
Product Description
Catalog Number:
AG004GGE
Chemical Name:
Carbamic acid, (3-methylphenyl)-, dodecyl ester
CAS Number:
88031-97-4
Molecular Formula:
C20H33NO2
Molecular Weight:
319.4815
IUPAC Name:
dodecyl N-(3-methylphenyl)carbamate
InChI:
InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-16-23-20(22)21-19-15-13-14-18(2)17-19/h13-15,17H,3-12,16H2,1-2H3,(H,21,22)
InChI Key:
GCAAYHGAFRSFFJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)Nc1cccc(c1)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.251g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.489g/mol
Monoisotopic Mass:
319.251g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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