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1439823-13-8 | Cyclopentanepropanenitrile, β-formyl-
CAS No: 1439823-13-8 Catalog No: AG001IP6 MDL No:MFCD22690781
Product Description
Catalog Number:
AG001IP6
Chemical Name:
Cyclopentanepropanenitrile, β-formyl-
CAS Number:
1439823-13-8
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD22690781
IUPAC Name:
3-cyclopentyl-4-oxobutanenitrile
InChI:
InChI=1S/C9H13NO/c10-6-5-9(7-11)8-3-1-2-4-8/h7-9H,1-5H2
InChI Key:
RACAKYNWTLGEKL-UHFFFAOYSA-N
SMILES:
O=CC(C1CCCC1)CC#N
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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