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87621-27-0 | Cyclopentanecarbonitrile, 2-ethyl-1-hydroxy-
CAS No: 87621-27-0 Catalog No: AG004LQ9 MDL No:
Product Description
Catalog Number:
AG004LQ9
Chemical Name:
Cyclopentanecarbonitrile, 2-ethyl-1-hydroxy-
CAS Number:
87621-27-0
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2-ethyl-1-hydroxycyclopentane-1-carbonitrile
InChI:
InChI=1S/C8H13NO/c1-2-7-4-3-5-8(7,10)6-9/h7,10H,2-5H2,1H3
InChI Key:
NHGNODKDUJBLTA-UHFFFAOYSA-N
SMILES:
CCC1CCCC1(O)C#N
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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