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88020-25-1 | Carbamic acid, [2-oxo-2-(4-pyridinyl)ethyl]-, methyl ester
CAS No: 88020-25-1 Catalog No: AG004GKE MDL No:
Product Description
Catalog Number:
AG004GKE
Chemical Name:
Carbamic acid, [2-oxo-2-(4-pyridinyl)ethyl]-, methyl ester
CAS Number:
88020-25-1
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
methyl N-(2-oxo-2-pyridin-4-ylethyl)carbamate
InChI:
InChI=1S/C9H10N2O3/c1-14-9(13)11-6-8(12)7-2-4-10-5-3-7/h2-5H,6H2,1H3,(H,11,13)
InChI Key:
PUMAZCQXBTWOKN-UHFFFAOYSA-N
SMILES:
COC(=O)NCC(=O)c1ccncc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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