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85071-58-5 | Benzaldehyde, 2-hydroxy-3,5-dimethoxy-4-methyl-
CAS No: 85071-58-5 Catalog No: AG004YE4 MDL No:
Product Description
Catalog Number:
AG004YE4
Chemical Name:
Benzaldehyde, 2-hydroxy-3,5-dimethoxy-4-methyl-
CAS Number:
85071-58-5
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
2-hydroxy-3,5-dimethoxy-4-methylbenzaldehyde
InChI:
InChI=1S/C10H12O4/c1-6-8(13-2)4-7(5-11)9(12)10(6)14-3/h4-5,12H,1-3H3
InChI Key:
LRLCLQPPZAVYDY-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(c(c1C)OC)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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