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646068-73-7 | Pyrazolo[3,4-a]quinolizine, 1,2,3,3a,7,8-hexahydro-
CAS No: 646068-73-7 Catalog No: AG006SAR MDL No:
Product Description
Catalog Number:
AG006SAR
Chemical Name:
Pyrazolo[3,4-a]quinolizine, 1,2,3,3a,7,8-hexahydro-
CAS Number:
646068-73-7
Molecular Formula:
C10H13N3
Molecular Weight:
175.2303
IUPAC Name:
1,2,3,3a,7,8-hexahydropyrazolo[3,4-a]quinolizine
InChI:
InChI=1S/C10H13N3/c1-2-5-13-6-4-8-7-11-12-10(8)9(13)3-1/h1,3-4,6,8,11-12H,2,5,7H2
InChI Key:
RXOCROQMKLAPBW-UHFFFAOYSA-N
SMILES:
C1C=CC2=C3NNCC3C=CN2C1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.235g/mol
Monoisotopic Mass:
175.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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