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207845-95-2 | 1H-Indole-2-carboxylic acid, 5-amino-1-methyl-
CAS No: 207845-95-2 Catalog No: AG002JCB MDL No:MFCD11106839
Product Description
Catalog Number:
AG002JCB
Chemical Name:
1H-Indole-2-carboxylic acid, 5-amino-1-methyl-
CAS Number:
207845-95-2
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD11106839
IUPAC Name:
5-amino-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C10H10N2O2/c1-12-8-3-2-7(11)4-6(8)5-9(12)10(13)14/h2-5H,11H2,1H3,(H,13,14)
InChI Key:
LNIJRYLPJYGFHY-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc(n2C)C(=O)O
Properties
Complexity:
244
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:
1
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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