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130657-47-5 | Cyclopenta[c]pyrrol-4-ol, octahydro-, hydrochloride, (3aα,4β,6aα)- (9CI)
CAS No: 130657-47-5 Catalog No: AG000URB MDL No:MFCD28892967
Product Description
Catalog Number:
AG000URB
Chemical Name:
Cyclopenta[c]pyrrol-4-ol, octahydro-, hydrochloride, (3aα,4β,6aα)- (9CI)
CAS Number:
130657-47-5
Molecular Formula:
C7H14ClNO
Molecular Weight:
163.6452
MDL Number:
MFCD28892967
IUPAC Name:
(3aR,4R,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-ol;hydrochloride
InChI:
InChI=1S/C7H13NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-9H,1-4H2;1H/t5-,6+,7-;/m1./s1
InChI Key:
ZWFNCJOAGYAXQO-FNCXLRSCSA-N
SMILES:
O[C@@H]1CC[C@H]2[C@@H]1CNC2.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
163.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
163.645g/mol
Monoisotopic Mass:
163.076g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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