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Home > Other Heterocycles > 94994-13-5
94994-13-5 | 4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carbonitrile
CAS No: 94994-13-5 Catalog No: AG01FHDJ MDL No:
Product Description
Catalog Number:
AG01FHDJ
Chemical Name:
4-(Hydroxymethyl)bicyclo[2.2.2]octane-1-carbonitrile
CAS Number:
94994-13-5
IUPAC Name:
4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carbonitrile
InChI:
InChI=1S/C10H15NO/c11-7-9-1-4-10(8-12,5-2-9)6-3-9/h12H,1-6,8H2
InChI Key:
MXTJUGZBCSYSSK-UHFFFAOYSA-N
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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