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80749-72-0 | Benzaldehyde, 4-hydroxy-2,5-dimethoxy-
CAS No: 80749-72-0 Catalog No: AG008LZ2 MDL No:
Product Description
Catalog Number:
AG008LZ2
Chemical Name:
Benzaldehyde, 4-hydroxy-2,5-dimethoxy-
CAS Number:
80749-72-0
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
4-hydroxy-2,5-dimethoxybenzaldehyde
InChI:
InChI=1S/C9H10O4/c1-12-8-4-7(11)9(13-2)3-6(8)5-10/h3-5,11H,1-2H3
InChI Key:
BAMYKVUGRCKVHP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(cc1OC)O
Properties
Complexity:
171
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:
1
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| The chemical constituents of Ligularia pleurocaulis. | Yao xue xue bao = Acta pharmaceutica Sinica 20050601 |
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