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145356-40-7 | 1,2-Benzenediol, 4-[(1E)-2-(3-hydroxyphenyl)ethenyl]-
CAS No: 145356-40-7 Catalog No: AG001KUG MDL No:
Product Description
Catalog Number:
AG001KUG
Chemical Name:
1,2-Benzenediol, 4-[(1E)-2-(3-hydroxyphenyl)ethenyl]-
CAS Number:
145356-40-7
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
4-[2-(3-hydroxyphenyl)ethenyl]benzene-1,2-diol
InChI:
InChI=1S/C14H12O3/c15-12-3-1-2-10(8-12)4-5-11-6-7-13(16)14(17)9-11/h1-9,15-17H
InChI Key:
QNVSXXGDAPORNA-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)/C=C/c1ccc(c(c1)O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Pharmacological studies on resveratrol. | Methods and findings in experimental and clinical pharmacology 20030501 |
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