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Home > Other Heterocycles > 178-59-6
178-59-6 | Spiro[cycloheptapyrazole-7(4H),2'-[1,3]dioxolane]
CAS No: 178-59-6 Catalog No: AG0025Q3 MDL No:
Product Description
Catalog Number:
AG0025Q3
Chemical Name:
Spiro[cycloheptapyrazole-7(4H),2'-[1,3]dioxolane]
CAS Number:
178-59-6
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
spiro[1,3-dioxolane-2,7'-4H-cyclohepta[c]pyrazole]
InChI:
InChI=1S/C10H10N2O2/c1-2-8-7-11-12-9(8)6-10(3-1)13-4-5-14-10/h1,3,6-7H,2,4-5H2
InChI Key:
ZYDYKSVKARNIHE-UHFFFAOYSA-N
SMILES:
C1COC2(O1)C=CCC1=CN=NC1=C2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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