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1227271-01-3 | 1H-Indole-6-carboxylic acid, 5-methoxy-
CAS No: 1227271-01-3 Catalog No: AG000J7M MDL No:
Product Description
Catalog Number:
AG000J7M
Chemical Name:
1H-Indole-6-carboxylic acid, 5-methoxy-
CAS Number:
1227271-01-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
5-methoxy-1H-indole-6-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-14-9-4-6-2-3-11-8(6)5-7(9)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
IWRMGXTZKKOOIO-UHFFFAOYSA-N
SMILES:
COc1cc2cc[nH]c2cc1C(=O)O
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:
1.5
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