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28311-29-7 | 4-(pyridin-2-yl)pyrrolidin-2-one
CAS No: 28311-29-7 Catalog No: AG01A8TA MDL No:MFCD16547557
Product Description
Catalog Number:
AG01A8TA
Chemical Name:
4-(pyridin-2-yl)pyrrolidin-2-one
CAS Number:
28311-29-7
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD16547557
IUPAC Name:
4-pyridin-2-ylpyrrolidin-2-one
InChI:
InChI=1S/C9H10N2O/c12-9-5-7(6-11-9)8-3-1-2-4-10-8/h1-4,7H,5-6H2,(H,11,12)
InChI Key:
QSHDIJPPAHJALG-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)c1ccccn1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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