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140697-64-9 | Tridecanenitrile, 8-hydroxy-
CAS No: 140697-64-9 Catalog No: AG001COU MDL No:
Product Description
Catalog Number:
AG001COU
Chemical Name:
Tridecanenitrile, 8-hydroxy-
CAS Number:
140697-64-9
Molecular Formula:
C13H25NO
Molecular Weight:
211.3437
IUPAC Name:
8-hydroxytridecanenitrile
InChI:
InChI=1S/C13H25NO/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14/h13,15H,2-11H2,1H3
InChI Key:
WPFBSIXJAMOLOR-UHFFFAOYSA-N
SMILES:
CCCCCC(CCCCCCC#N)O
EC Number:
310-279-3
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.194g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.349g/mol
Monoisotopic Mass:
211.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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