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128812-35-1 | Cyclopenta[c]pyrrole-1-carboxylic acid, 2,4,5,6-tetrahydro-, ethyl ester
CAS No: 128812-35-1 Catalog No: AG000YFG MDL No:
Product Description
Catalog Number:
AG000YFG
Chemical Name:
Cyclopenta[c]pyrrole-1-carboxylic acid, 2,4,5,6-tetrahydro-, ethyl ester
CAS Number:
128812-35-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
ethyl 2,4,5,6-tetrahydrocyclopenta[c]pyrrole-3-carboxylate
InChI:
InChI=1S/C10H13NO2/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9/h6,11H,2-5H2,1H3
InChI Key:
VOQBTLZBLJPLNW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc2c1CCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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