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22383-86-4 | Benzaldehyde,2-hydroxy-3,4-dimethoxy-6-methyl-
CAS No: 22383-86-4 Catalog No: AG006Y5N MDL No:
Product Description
Catalog Number:
AG006Y5N
Chemical Name:
Benzaldehyde,2-hydroxy-3,4-dimethoxy-6-methyl-
CAS Number:
22383-86-4
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
2-hydroxy-3,4-dimethoxy-6-methylbenzaldehyde
InChI:
InChI=1S/C10H12O4/c1-6-4-8(13-2)10(14-3)9(12)7(6)5-11/h4-5,12H,1-3H3
InChI Key:
PNRCENGTZYOIQK-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c(c1O)C=O)C
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
Literature
| Title | Journal |
|---|---|
| Tautomerism in large databases. | Journal of computer-aided molecular design 20100601 |
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