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1159825-10-1 | 1H-Pyrrole-2-carboxylic acid, 1-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 1159825-10-1 Catalog No: AG000HBU MDL No:
Product Description
Catalog Number:
AG000HBU
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
1159825-10-1
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
IUPAC Name:
ethyl 1-aminopyrrole-2-carboxylate;hydrochloride
InChI:
InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)6-4-3-5-9(6)8;/h3-5H,2,8H2,1H3;1H
InChI Key:
IJKYIIMMYDNXDG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn1N.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.627g/mol
Monoisotopic Mass:
190.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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