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20642-93-7 | Carbamic acid, N-(2,6-dimethylphenyl)-, methyl ester
CAS No: 20642-93-7 Catalog No: AG002IHD MDL No:
Product Description
Catalog Number:
AG002IHD
Chemical Name:
Carbamic acid, N-(2,6-dimethylphenyl)-, methyl ester
CAS Number:
20642-93-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
methyl N-(2,6-dimethylphenyl)carbamate
InChI:
InChI=1S/C10H13NO2/c1-7-5-4-6-8(2)9(7)11-10(12)13-3/h4-6H,1-3H3,(H,11,12)
InChI Key:
QFLNEWLXKQAIIV-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1c(C)cccc1C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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