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Home > Other Heterocycles > 1862934-12-0
1862934-12-0 | 5,7-dimethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS No: 1862934-12-0 Catalog No: AG01BNXL MDL No:MFCD31432065
Product Description
Catalog Number:
AG01BNXL
Chemical Name:
5,7-dimethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1862934-12-0
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD31432065
IUPAC Name:
5,7-dimethyl-1,6-dioxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C9H13NO2/c1-6-3-9(4-7(2)11-6)8(5-10)12-9/h6-8H,3-4H2,1-2H3
InChI Key:
XJKSZVZWJFDDPY-UHFFFAOYSA-N
SMILES:
CC1OC(C)CC2(C1)OC2C#N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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