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138808-37-4 | Heptanenitrile, 6-methyl-
CAS No: 138808-37-4 Catalog No: AG0019MK MDL No:
Product Description
Catalog Number:
AG0019MK
Chemical Name:
Heptanenitrile, 6-methyl-
CAS Number:
138808-37-4
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
6-methylheptanenitrile
InChI:
InChI=1S/C8H15N/c1-8(2)6-4-3-5-7-9/h8H,3-6H2,1-2H3
InChI Key:
DRHROSXFXTXWKD-UHFFFAOYSA-N
SMILES:
N#CCCCCC(C)C
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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