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24006-29-9 | Benzaldehyde, 3,4-dihydroxy-2-methoxy-
CAS No: 24006-29-9 Catalog No: AG006XNL MDL No:
Product Description
Catalog Number:
AG006XNL
Chemical Name:
Benzaldehyde, 3,4-dihydroxy-2-methoxy-
CAS Number:
24006-29-9
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
3,4-dihydroxy-2-methoxybenzaldehyde
InChI:
InChI=1S/C8H8O4/c1-12-8-5(4-9)2-3-6(10)7(8)11/h2-4,10-11H,1H3
InChI Key:
GGHQMCJKHUKPOJ-UHFFFAOYSA-N
SMILES:
COc1c(C=O)ccc(c1O)O
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.042g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.148g/mol
Monoisotopic Mass:
168.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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