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153893-09-5 | 1H-Benzimidazole-1-propanal
CAS No: 153893-09-5 Catalog No: AG007HHW MDL No:
Product Description
Catalog Number:
AG007HHW
Chemical Name:
1H-Benzimidazole-1-propanal
CAS Number:
153893-09-5
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
3-(benzimidazol-1-yl)propanal
InChI:
InChI=1S/C10H10N2O/c13-7-3-6-12-8-11-9-4-1-2-5-10(9)12/h1-2,4-5,7-8H,3,6H2
InChI Key:
HRUAWKZCCFADRR-UHFFFAOYSA-N
SMILES:
O=CCCn1cnc2c1cccc2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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