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14563-39-4 | Benzenebutanoic acid, 4-hydroxy-3-methoxy-
CAS No: 14563-39-4 Catalog No: AG001D9C MDL No:
Product Description
Catalog Number:
AG001D9C
Chemical Name:
Benzenebutanoic acid, 4-hydroxy-3-methoxy-
CAS Number:
14563-39-4
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
4-(4-hydroxy-3-methoxyphenyl)butanoic acid
InChI:
InChI=1S/C11H14O4/c1-15-10-7-8(5-6-9(10)12)3-2-4-11(13)14/h5-7,12H,2-4H2,1H3,(H,13,14)
InChI Key:
ADGDNKUBVIXMIX-UHFFFAOYSA-N
SMILES:
COc1cc(CCCC(=O)O)ccc1O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Metabolism of [6]-gingerol in rats. | Life sciences 20020322 |
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