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130658-13-8 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-hydroxy-, 1,1-dimethylethyl ester
CAS No: 130658-13-8 Catalog No: AG000URA MDL No:MFCD11973741
Product Description
Catalog Number:
AG000URA
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
130658-13-8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD11973741
IUPAC Name:
tert-butyl 4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-10,14H,4-7H2,1-3H3
InChI Key:
LVSMJGHUOLKTJI-UHFFFAOYSA-N
SMILES:
OC1CCC2C1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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