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1176740-52-5 | 1H-Pyrrole-2-carboxylic acid, 3-amino-1-ethyl-, ethyl ester
CAS No: 1176740-52-5 Catalog No: AG000HNE MDL No:
Product Description
Catalog Number:
AG000HNE
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-amino-1-ethyl-, ethyl ester
CAS Number:
1176740-52-5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
ethyl 3-amino-1-ethylpyrrole-2-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-3-11-6-5-7(10)8(11)9(12)13-4-2/h5-6H,3-4,10H2,1-2H3
InChI Key:
FWALYXHAEZKPID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)ccn1CC
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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