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1011-27-4 | Benzaldehyde, 3,5-dimethoxy-4-methyl-
CAS No: 1011-27-4 Catalog No: AG0003QX MDL No:
Product Description
Catalog Number:
AG0003QX
Chemical Name:
Benzaldehyde, 3,5-dimethoxy-4-methyl-
CAS Number:
1011-27-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3,5-dimethoxy-4-methylbenzaldehyde
InChI:
InChI=1S/C10H12O3/c1-7-9(12-2)4-8(6-11)5-10(7)13-3/h4-6H,1-3H3
InChI Key:
MVYZXQMGSYROEH-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1C)OC
Properties
Complexity:
156
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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