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Home > Aldehydes > 819872-25-8
819872-25-8 | 1H-Benzimidazole-2-carboxaldehyde, 4,7-dimethoxy-1-(2-propenyl)-
CAS No: 819872-25-8 Catalog No: AG004Z2C MDL No:
Product Description
Catalog Number:
AG004Z2C
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde, 4,7-dimethoxy-1-(2-propenyl)-
CAS Number:
819872-25-8
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
4,7-dimethoxy-1-prop-2-enylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C13H14N2O3/c1-4-7-15-11(8-16)14-12-9(17-2)5-6-10(18-3)13(12)15/h4-6,8H,1,7H2,2-3H3
InChI Key:
YSTQUIBVQQXONN-UHFFFAOYSA-N
SMILES:
C=CCn1c(C=O)nc2c1c(OC)ccc2OC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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