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1000341-48-9 | 1H-Indole-2-carboxylic acid, 7-amino-5-methoxy-
CAS No: 1000341-48-9 Catalog No: AG0000GF MDL No:
Product Description
Catalog Number:
AG0000GF
Chemical Name:
1H-Indole-2-carboxylic acid, 7-amino-5-methoxy-
CAS Number:
1000341-48-9
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
IUPAC Name:
7-amino-5-methoxy-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C10H10N2O3/c1-15-6-2-5-3-8(10(13)14)12-9(5)7(11)4-6/h2-4,12H,11H2,1H3,(H,13,14)
InChI Key:
MVBYUVNOWCELDJ-UHFFFAOYSA-N
SMILES:
COc1cc(N)c2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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