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49660-12-0 | 5-(1H-BENZIMIDAZOL-2-YL)-2-PENTANONE
CAS No: 49660-12-0 Catalog No: AG00DWMH MDL No:
Product Description
Catalog Number:
AG00DWMH
Chemical Name:
5-(1H-BENZIMIDAZOL-2-YL)-2-PENTANONE
CAS Number:
49660-12-0
IUPAC Name:
5-(1H-benzimidazol-2-yl)pentan-2-one
InChI:
InChI=1S/C12H14N2O/c1-9(15)5-4-8-12-13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,4-5,8H2,1H3,(H,13,14)
InChI Key:
FUOXXCAMPKQNGW-UHFFFAOYSA-N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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