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1000341-45-6 | 1H-Indole-2-carboxylic acid, 7-amino-5-methoxy-, methyl ester
CAS No: 1000341-45-6 Catalog No: AG0000GI MDL No:
Product Description
Catalog Number:
AG0000GI
Chemical Name:
1H-Indole-2-carboxylic acid, 7-amino-5-methoxy-, methyl ester
CAS Number:
1000341-45-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
methyl 7-amino-5-methoxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-15-7-3-6-4-9(11(14)16-2)13-10(6)8(12)5-7/h3-5,13H,12H2,1-2H3
InChI Key:
BEXCNKUTCHUJJX-UHFFFAOYSA-N
SMILES:
COc1cc(N)c2c(c1)cc([nH]2)C(=O)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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