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50423-25-1 | Benzaldehyde, 3,5-dimethoxy-2-methyl-
CAS No: 50423-25-1 Catalog No: AG006TU1 MDL No:
Product Description
Catalog Number:
AG006TU1
Chemical Name:
Benzaldehyde, 3,5-dimethoxy-2-methyl-
CAS Number:
50423-25-1
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3,5-dimethoxy-2-methylbenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-7-8(6-11)4-9(12-2)5-10(7)13-3/h4-6H,1-3H3
InChI Key:
MPAYFBIOGOCGKY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1)C=O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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