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1147103-42-1 | Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, hydrochloride (1:1), (1S,3aR,6aS)-
CAS No: 1147103-42-1 Catalog No: AG000F2Q MDL No:
Product Description
Catalog Number:
AG000F2Q
Chemical Name:
Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, hydrochloride (1:1), (1S,3aR,6aS)-
CAS Number:
1147103-42-1
Molecular Formula:
C10H18ClNO2
Molecular Weight:
219.7084
IUPAC Name:
ethyl (3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C10H17NO2.ClH/c1-2-13-10(12)9-8-5-3-4-7(8)6-11-9;/h7-9,11H,2-6H2,1H3;1H/t7-,8-,9-;/m0./s1
InChI Key:
CHVSZCHUIDYZIU-YWUTZLAHSA-N
SMILES:
CCOC(=O)[C@H]1NC[C@H]2[C@@H]1CCC2.Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
219.103g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.709g/mol
Monoisotopic Mass:
219.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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