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2179-22-8 | Benzaldehyde, 2,5-dihydroxy-3-methoxy-
CAS No: 2179-22-8 Catalog No: AG006Z9X MDL No:
Product Description
Catalog Number:
AG006Z9X
Chemical Name:
Benzaldehyde, 2,5-dihydroxy-3-methoxy-
CAS Number:
2179-22-8
Molecular Formula:
C8H8O4
Molecular Weight:
168.1467
IUPAC Name:
2,5-dihydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H8O4/c1-12-7-3-6(10)2-5(4-9)8(7)11/h2-4,10-11H,1H3
InChI Key:
DMDILUGQARSBDS-UHFFFAOYSA-N
SMILES:
COc1cc(O)cc(c1O)C=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:
1
Literature
| Title | Journal |
|---|---|
| Role of quinones in the ascorbate reduction rates of S-nitrosoglutathione. | Free radical biology & medicine 20101115 |
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