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14796-48-6 | 3(2H)-Benzofuranone, 6-hydroxy-2-[hydroxy(4-hydroxyphenyl)methyl]-
CAS No: 14796-48-6 Catalog No: AG001FBG MDL No:
Product Description
Catalog Number:
AG001FBG
Chemical Name:
3(2H)-Benzofuranone, 6-hydroxy-2-[hydroxy(4-hydroxyphenyl)methyl]-
CAS Number:
14796-48-6
Molecular Formula:
C15H12O5
Molecular Weight:
272.2528
IUPAC Name:
6-hydroxy-2-[hydroxy-(4-hydroxyphenyl)methyl]-1-benzofuran-3-one
InChI:
InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13(18)15-14(19)11-6-5-10(17)7-12(11)20-15/h1-7,13,15-18H
InChI Key:
KOUAZSKCURTENM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(C1Oc2c(C1=O)ccc(c2)O)O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.256g/mol
Monoisotopic Mass:
272.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Integrated metabolite and transcript profiling identify a biosynthetic mechanism for hispidol in Medicago truncatula cell cultures. | Plant physiology 20091101 |
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