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Home > Pyridines > 890013-32-8
890013-32-8 | 2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydro-1H-pyrrolizin-1-one
CAS No: 890013-32-8 Catalog No: AG019Q8V MDL No:MFCD06255167
Product Description
Catalog Number:
AG019Q8V
Chemical Name:
2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydro-1H-pyrrolizin-1-one
CAS Number:
890013-32-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD06255167
IUPAC Name:
2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydropyrrolizin-1-one
InChI:
InChI=1S/C13H12N2O2/c16-12(9-3-5-14-6-4-9)10-8-15-7-1-2-11(15)13(10)17/h1-7,10,12,16H,8H2
InChI Key:
HGYHJOGYOJQYNS-UHFFFAOYSA-N
SMILES:
OC(C1Cn2c(C1=O)ccc2)c1ccncc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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