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2021-40-1 | Benzeneacetic acid, 4-hydroxy-3-methoxy-α-oxo-
CAS No: 2021-40-1 Catalog No: AG00282A MDL No:
Product Description
Catalog Number:
AG00282A
Chemical Name:
Benzeneacetic acid, 4-hydroxy-3-methoxy-α-oxo-
CAS Number:
2021-40-1
Molecular Formula:
C9H8O5
Molecular Weight:
196.1568
IUPAC Name:
2-(4-hydroxy-3-methoxyphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C9H8O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,10H,1H3,(H,12,13)
InChI Key:
HQAYTVADCVBACX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)C(=O)C(=O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.037g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.158g/mol
Monoisotopic Mass:
196.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Zorrimidazolone, a bioactive alkaloid from the non-indigenous mediterranean stolidobranch Polyandrocarpa zorritensis. | Marine drugs 20110101 |
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