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157873-93-3 | 1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-
CAS No: 157873-93-3 Catalog No: AG001PRN MDL No:
Product Description
Catalog Number:
AG001PRN
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3,4-diethyl-
CAS Number:
157873-93-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
3,4-diethyl-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C9H13NO2/c1-3-6-5-10-8(9(11)12)7(6)4-2/h5,10H,3-4H2,1-2H3,(H,11,12)
InChI Key:
ZMRBGUQIQSRTLI-UHFFFAOYSA-N
SMILES:
CCc1c(CC)c[nH]c1C(=O)O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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