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180258-45-1 | 1H-Pyrrole-2-carboxylic acid, 4-amino-1-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 180258-45-1 Catalog No: AG0021U6 MDL No:MFCD01318761
Product Description
Catalog Number:
AG0021U6
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-amino-1-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
180258-45-1
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD01318761
IUPAC Name:
methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride
InChI:
InChI=1S/C7H10N2O2.ClH/c1-9-4-5(8)3-6(9)7(10)11-2;/h3-4H,8H2,1-2H3;1H
InChI Key:
HEOKCJUUKIPIMM-UHFFFAOYSA-N
SMILES:
Cn1cc(cc1C(=O)OC)N.Cl
NSC Number:
742395
Properties
Complexity:
161
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:
2
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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