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10242-01-0 | 1H-Indole-3-carboxylic acid, 5-methoxy-
CAS No: 10242-01-0 Catalog No: AG0007EV MDL No:MFCD03265451
Product Description
Catalog Number:
AG0007EV
Chemical Name:
1H-Indole-3-carboxylic acid, 5-methoxy-
CAS Number:
10242-01-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD03265451
IUPAC Name:
5-methoxy-1H-indole-3-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-14-6-2-3-9-7(4-6)8(5-11-9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
RVVSEZGJCOAUED-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C(=O)O
NSC Number:
88877
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| In vitro metabolism of tegaserod in human liver and intestine: assessment of drug interactions. | Drug metabolism and disposition: the biological fate of chemicals 20011001 |
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