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103260-65-7 | 4-Methoxyindole-2-carboxylic acid
CAS No: 103260-65-7 Catalog No: AG003LNS MDL No:MFCD02664458
Product Description
Catalog Number:
AG003LNS
Chemical Name:
4-Methoxyindole-2-carboxylic acid
CAS Number:
103260-65-7
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD02664458
IUPAC Name:
4-methoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-14-9-4-2-3-7-6(9)5-8(11-7)10(12)13/h2-5,11H,1H3,(H,12,13)
InChI Key:
ZZAVIQXQBBOHBB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc([nH]2)C(=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:
1.9
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