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Home > Pyridines > 114216-63-6
114216-63-6 | Carbamic acid, 4-pyridinyl-, 2-oxopropyl ester (9CI)
CAS No: 114216-63-6 Catalog No: AG000ATO MDL No:
Product Description
Catalog Number:
AG000ATO
Chemical Name:
Carbamic acid, 4-pyridinyl-, 2-oxopropyl ester (9CI)
CAS Number:
114216-63-6
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
2-oxopropyl N-pyridin-4-ylcarbamate
InChI:
InChI=1S/C9H10N2O3/c1-7(12)6-14-9(13)11-8-2-4-10-5-3-8/h2-5H,6H2,1H3,(H,10,11,13)
InChI Key:
SPQBZDLDOAVJBT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccncc1)OCC(=O)C
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:
0.2
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