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1379227-91-4 | 1H-Pyrrole-2-carboxylic acid, 5-aMino-1-ethyl-, Methyl ester
CAS No: 1379227-91-4 Catalog No: AG00143P MDL No:
Product Description
Catalog Number:
AG00143P
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 5-aMino-1-ethyl-, Methyl ester
CAS Number:
1379227-91-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
methyl 5-amino-1-ethylpyrrole-2-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-10-6(8(11)12-2)4-5-7(10)9/h4-5H,3,9H2,1-2H3
InChI Key:
KDQFBIVDSUJEMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(n1CC)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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