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1194374-72-5 | 1H-Pyrrole-2-carboxylic acid, 3-amino-5-ethyl-, ethyl ester
CAS No: 1194374-72-5 Catalog No: AG000IR7 MDL No:MFCD11111536
Product Description
Catalog Number:
AG000IR7
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-amino-5-ethyl-, ethyl ester
CAS Number:
1194374-72-5
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD11111536
IUPAC Name:
ethyl 3-amino-5-ethyl-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C9H14N2O2/c1-3-6-5-7(10)8(11-6)9(12)13-4-2/h5,11H,3-4,10H2,1-2H3
InChI Key:
YVRLPBNXXIMQMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(cc1N)CC
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:
2
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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