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127430-46-0 | Cyclopenta[c]pyrrol-4(1H)-one, hexahydro-, hydrochloride (1:1)
CAS No: 127430-46-0 Catalog No: AG000X2I MDL No:MFCD06658456
Product Description
Catalog Number:
AG000X2I
Chemical Name:
Cyclopenta[c]pyrrol-4(1H)-one, hexahydro-, hydrochloride (1:1)
CAS Number:
127430-46-0
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
MDL Number:
MFCD06658456
IUPAC Name:
2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-one;hydrochloride
InChI:
InChI=1S/C7H11NO.ClH/c9-7-2-1-5-3-8-4-6(5)7;/h5-6,8H,1-4H2;1H
InChI Key:
NCJPVPGXNDVUCM-UHFFFAOYSA-N
SMILES:
O=C1CCC2C1CNC2.Cl
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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