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101925-22-8 | 3-Pyridinol, 4-butyl-
CAS No: 101925-22-8 Catalog No: AG0005YD MDL No:
Product Description
Catalog Number:
AG0005YD
Chemical Name:
3-Pyridinol, 4-butyl-
CAS Number:
101925-22-8
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
4-butyl-1H-pyridin-2-one
InChI:
InChI=1S/C9H13NO/c1-2-3-4-8-5-6-10-9(11)7-8/h5-7H,2-4H2,1H3,(H,10,11)
InChI Key:
DUWTWAUCEZYJNF-UHFFFAOYSA-N
SMILES:
CCCCc1ccncc1O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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