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Home > Aldehydes > 118093-05-3
118093-05-3 | Benzaldehyde,4,6-dihydroxy-2-methoxy-3-methyl-
CAS No: 118093-05-3 Catalog No: AG007QLS MDL No:
Product Description
Catalog Number:
AG007QLS
Chemical Name:
Benzaldehyde,4,6-dihydroxy-2-methoxy-3-methyl-
CAS Number:
118093-05-3
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
4,6-dihydroxy-2-methoxy-3-methylbenzaldehyde
InChI:
InChI=1S/C9H10O4/c1-5-7(11)3-8(12)6(4-10)9(5)13-2/h3-4,11-12H,1-2H3
InChI Key:
OJOCQEXJTITTNM-UHFFFAOYSA-N
SMILES:
COc1c(C=O)c(O)cc(c1C)O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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