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Home > Other Building Blocks > 190451-85-5
190451-85-5 | 6-Heptenenitrile, 4-methyl-3-oxo-
CAS No: 190451-85-5 Catalog No: AG002EKQ MDL No:MFCD24697456
Product Description
Catalog Number:
AG002EKQ
Chemical Name:
6-Heptenenitrile, 4-methyl-3-oxo-
CAS Number:
190451-85-5
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD24697456
IUPAC Name:
4-methyl-3-oxohept-6-enenitrile
InChI:
InChI=1S/C8H11NO/c1-3-4-7(2)8(10)5-6-9/h3,7H,1,4-5H2,2H3
InChI Key:
OHOZOSYWACEVSF-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)CC#N)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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