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113772-14-8 | 1H-Indole-3-carboxylic acid, 2-amino-, methyl ester
CAS No: 113772-14-8 Catalog No: AG0009MF MDL No:
Product Description
Catalog Number:
AG0009MF
Chemical Name:
1H-Indole-3-carboxylic acid, 2-amino-, methyl ester
CAS Number:
113772-14-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
methyl 2-amino-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-14-10(13)8-6-4-2-3-5-7(6)12-9(8)11/h2-5,12H,11H2,1H3
InChI Key:
XPOFELVXMSSKQL-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)[nH]c2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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