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1541630-70-9 | 1-METHYL-4,5,6,7-TETRAHYDRO-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
CAS No: 1541630-70-9 Catalog No: AG01DVL5 MDL No:MFCD26679316
Product Description
Catalog Number:
AG01DVL5
Chemical Name:
1-METHYL-4,5,6,7-TETRAHYDRO-1H-BENZOIMIDAZOLE-2-CARBALDEHYDE
CAS Number:
1541630-70-9
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD26679316
IUPAC Name:
1-methyl-4,5,6,7-tetrahydrobenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C9H12N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h6H,2-5H2,1H3
InChI Key:
QNJGGBCYTQGESG-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1C)CCCC2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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