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1235138-34-7 | 1H-Indole-6-carboxylic acid, 4-amino-, methyl ester, hydrochloride (1:1)
CAS No: 1235138-34-7 Catalog No: AG000KPV MDL No:MFCD11052343
Product Description
Catalog Number:
AG000KPV
Chemical Name:
1H-Indole-6-carboxylic acid, 4-amino-, methyl ester, hydrochloride (1:1)
CAS Number:
1235138-34-7
Molecular Formula:
C10H11ClN2O2
Molecular Weight:
226.6595
MDL Number:
MFCD11052343
IUPAC Name:
methyl 4-amino-1H-indole-6-carboxylate;hydrochloride
InChI:
InChI=1S/C10H10N2O2.ClH/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6;/h2-5,12H,11H2,1H3;1H
InChI Key:
HZAYUVWSZONRIE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c2c(c1)[nH]cc2.Cl
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.66g/mol
Monoisotopic Mass:
226.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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