Home Aldehydes Benzaldehyde,2-hydroxy-3,4-dimethoxy-6-methyl-

Benzaldehyde,2-hydroxy-3,4-dimethoxy-6-methyl-

CAS No.:
22383-86-4
Catalog Number:
AG006Y5N
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$202
- +
5g
1 week
United States
$770
- +
10g
1 week
United States
$1356
- +
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
MDL Number:
MFCD00075802
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
Properties