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10412-98-3 | 5-Oxohexanenitrile
CAS No: 10412-98-3 Catalog No: AG003MTP MDL No:MFCD00010671
Product Description
Catalog Number:
AG003MTP
Chemical Name:
5-Oxohexanenitrile
CAS Number:
10412-98-3
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
MDL Number:
MFCD00010671
IUPAC Name:
5-oxohexanenitrile
InChI:
InChI=1S/C6H9NO/c1-6(8)4-2-3-5-7/h2-4H2,1H3
InChI Key:
AEVMBQIIZGKQRB-UHFFFAOYSA-N
SMILES:
N#CCCCC(=O)C
EC Number:
233-884-3
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Yeast cell factories for fine chemical and API production. | Microbial cell factories 20080101 |
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