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87980-66-3 | Carbamic acid, methyl-1-naphthalenyl-
CAS No: 87980-66-3 Catalog No: AG004OUH MDL No:
Product Description
Catalog Number:
AG004OUH
Chemical Name:
Carbamic acid, methyl-1-naphthalenyl-
CAS Number:
87980-66-3
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
methyl(naphthalen-1-yl)carbamic acid
InChI:
InChI=1S/C12H11NO2/c1-13(12(14)15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,14,15)
InChI Key:
QWNADYWYMJGNAC-UHFFFAOYSA-N
SMILES:
OC(=O)N(c1cccc2c1cccc2)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Modulation of aryl hydrocarbon receptor transactivation by carbaryl, a nonconventional ligand. | The FEBS journal 20070701 |
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