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539-32-2 | 3-Butylpyridine
CAS No: 539-32-2 Catalog No: AG0033N7 MDL No:MFCD00010709
Product Description
Catalog Number:
AG0033N7
Chemical Name:
3-Butylpyridine
CAS Number:
539-32-2
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00010709
IUPAC Name:
3-butylpyridine
InChI:
InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3
InChI Key:
QSNMFWFDOFQASV-UHFFFAOYSA-N
SMILES:
CCCCc1cccnc1
EC Number:
208-715-1
UNII:
7I8G7Q77YM
Properties
Complexity:
80.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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