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114401-90-0 | 2H-Pyrrole-5-carboxylic acid, 3,4-dihydro-4-(2-pyrrolidinyl)-
CAS No: 114401-90-0 Catalog No: AG000B9D MDL No:
Product Description
Catalog Number:
AG000B9D
Chemical Name:
2H-Pyrrole-5-carboxylic acid, 3,4-dihydro-4-(2-pyrrolidinyl)-
CAS Number:
114401-90-0
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
4-pyrrolidin-2-yl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
InChI:
InChI=1S/C9H14N2O2/c12-9(13)8-6(3-5-11-8)7-2-1-4-10-7/h6-7,10H,1-5H2,(H,12,13)
InChI Key:
VJSTWGKZOMWOGO-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NCCC1C1CCCN1
Properties
Complexity:
250
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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