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130687-82-0 | 2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]
CAS No: 130687-82-0 Catalog No: AG01AFON MDL No:MFCD08444672
Product Description
Catalog Number:
AG01AFON
Chemical Name:
2',3'-dihydro-1'H-spiro[cyclopentane-1,4'-isoquinoline]
CAS Number:
130687-82-0
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD08444672
IUPAC Name:
spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
InChI:
InChI=1S/C13H17N/c1-2-6-12-11(5-1)9-14-10-13(12)7-3-4-8-13/h1-2,5-6,14H,3-4,7-10H2
InChI Key:
UODMFNSQKOIWLQ-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)CNCc1c2cccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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