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10264-51-4 | Hexanedinitrile, 3-(1,1-dimethylethyl)-
CAS No: 10264-51-4 Catalog No: AG00080R MDL No:
Product Description
Catalog Number:
AG00080R
Chemical Name:
Hexanedinitrile, 3-(1,1-dimethylethyl)-
CAS Number:
10264-51-4
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
IUPAC Name:
3-tert-butylhexanedinitrile
InChI:
InChI=1S/C10H16N2/c1-10(2,3)9(6-8-12)5-4-7-11/h9H,4-6H2,1-3H3
InChI Key:
KCFVTZMUKHMNEJ-UHFFFAOYSA-N
SMILES:
N#CCCC(C(C)(C)C)CC#N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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