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Home > Pyridines > 185207-07-2
185207-07-2 | 3-Hydroxy-3-(3-pyridinyl)-2-butanone
CAS No: 185207-07-2 Catalog No: AG00JA1M MDL No:MFCD06618376
Product Description
Catalog Number:
AG00JA1M
Chemical Name:
3-Hydroxy-3-(3-pyridinyl)-2-butanone
CAS Number:
185207-07-2
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD06618376
IUPAC Name:
3-hydroxy-3-pyridin-3-ylbutan-2-one
InChI:
InChI=1S/C9H11NO2/c1-7(11)9(2,12)8-4-3-5-10-6-8/h3-6,12H,1-2H3
InChI Key:
BBHFQKRWDDXEHN-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1cccnc1)(O)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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