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2938-69-4 | Hexanenitrile, 4-ethyl-4-formyl-
CAS No: 2938-69-4 Catalog No: AG002Y8S MDL No:MFCD00047654
Product Description
Catalog Number:
AG002Y8S
Chemical Name:
Hexanenitrile, 4-ethyl-4-formyl-
CAS Number:
2938-69-4
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
MDL Number:
MFCD00047654
IUPAC Name:
4-ethyl-4-formylhexanenitrile
InChI:
InChI=1S/C9H15NO/c1-3-9(4-2,8-11)6-5-7-10/h8H,3-6H2,1-2H3
InChI Key:
AMUXIQHQXOKMTN-UHFFFAOYSA-N
SMILES:
CCC(C=O)(CCC#N)CC
EC Number:
220-923-4
NSC Number:
69068
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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