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16732-73-3 | 1H-Indole-2-carboxylic acid, 6-methoxy-
CAS No: 16732-73-3 Catalog No: AG001XAP MDL No:MFCD01548823
Product Description
Catalog Number:
AG001XAP
Chemical Name:
1H-Indole-2-carboxylic acid, 6-methoxy-
CAS Number:
16732-73-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD01548823
IUPAC Name:
6-methoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H9NO3/c1-14-7-3-2-6-4-9(10(12)13)11-8(6)5-7/h2-5,11H,1H3,(H,12,13)
InChI Key:
XNBGANWAZJWOHS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(c2)C(=O)O
NSC Number:
27988
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:
2.3
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