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31020-32-3 | Carbamic acid, 2-pyridinyl-, 1-methylethyl ester (9CI)
CAS No: 31020-32-3 Catalog No: AG0031XT MDL No:
Product Description
Catalog Number:
AG0031XT
Chemical Name:
Carbamic acid, 2-pyridinyl-, 1-methylethyl ester (9CI)
CAS Number:
31020-32-3
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
propan-2-yl N-pyridin-2-ylcarbamate
InChI:
InChI=1S/C9H12N2O2/c1-7(2)13-9(12)11-8-5-3-4-6-10-8/h3-7H,1-2H3,(H,10,11,12)
InChI Key:
FPRYAYYONDOGNO-UHFFFAOYSA-N
SMILES:
CC(OC(=O)Nc1ccccn1)C
NSC Number:
190401
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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