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52249-80-6 | Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy-
CAS No: 52249-80-6 Catalog No: AG006VHA MDL No:
Product Description
Catalog Number:
AG006VHA
Chemical Name:
Benzaldehyde, 2,4-dihydroxy-3,6-dimethoxy-
CAS Number:
52249-80-6
Molecular Formula:
C9H10O5
Molecular Weight:
198.1727
IUPAC Name:
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H10O5/c1-13-7-3-6(11)9(14-2)8(12)5(7)4-10/h3-4,11-12H,1-2H3
InChI Key:
CGKQZJCKLYVFPW-UHFFFAOYSA-N
SMILES:
O=Cc1c(OC)cc(c(c1O)OC)O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.174g/mol
Monoisotopic Mass:
198.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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