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167027-30-7 | 1H-Indole-2-carboxylic acid, 6-amino-, methyl ester
CAS No: 167027-30-7 Catalog No: AG001X30 MDL No:MFCD08234687
Product Description
Catalog Number:
AG001X30
Chemical Name:
1H-Indole-2-carboxylic acid, 6-amino-, methyl ester
CAS Number:
167027-30-7
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD08234687
IUPAC Name:
methyl 6-amino-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H10N2O2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-5,12H,11H2,1H3
InChI Key:
PSEIRKHMARZIRI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cc(cc2)N
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:
1.8
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