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90685-98-6 | Benzaldehyde, 2,6-dihydroxy-3,4-dimethyl-
CAS No: 90685-98-6 Catalog No: AG006NAO MDL No:
Product Description
Catalog Number:
AG006NAO
Chemical Name:
Benzaldehyde, 2,6-dihydroxy-3,4-dimethyl-
CAS Number:
90685-98-6
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
IUPAC Name:
2,6-dihydroxy-3,4-dimethylbenzaldehyde
InChI:
InChI=1S/C9H10O3/c1-5-3-8(11)7(4-10)9(12)6(5)2/h3-4,11-12H,1-2H3
InChI Key:
SXPFGMGGNLHSIS-UHFFFAOYSA-N
SMILES:
O=Cc1c(O)cc(c(c1O)C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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