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Home > Imidazoles > 1026802-97-0
1026802-97-0 | 1H-Imidazol-5-ol, 2-butyl-
CAS No: 1026802-97-0 Catalog No: AG00083T MDL No:
Product Description
Catalog Number:
AG00083T
Chemical Name:
1H-Imidazol-5-ol, 2-butyl-
CAS Number:
1026802-97-0
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
2-butyl-1H-imidazol-5-ol
InChI:
InChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h5,10H,2-4H2,1H3,(H,8,9)
InChI Key:
IOGVQLMNLMKWQF-UHFFFAOYSA-N
SMILES:
CCCCc1ncc([nH]1)O
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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