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1013112-48-5 | Benzonitrile, 2-formyl-4,5-dimethoxy-
CAS No: 1013112-48-5 Catalog No: AG00046Y MDL No:MFCD24678322
Product Description
Catalog Number:
AG00046Y
Chemical Name:
Benzonitrile, 2-formyl-4,5-dimethoxy-
CAS Number:
1013112-48-5
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD24678322
IUPAC Name:
2-formyl-4,5-dimethoxybenzonitrile
InChI:
InChI=1S/C10H9NO3/c1-13-9-3-7(5-11)8(6-12)4-10(9)14-2/h3-4,6H,1-2H3
InChI Key:
YNEXSTHJDYEIIP-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)c(cc1OC)C=O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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