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88536-57-6 | Undecanenitrile, 5-methoxy-
CAS No: 88536-57-6 Catalog No: AG00456N MDL No:
Product Description
Catalog Number:
AG00456N
Chemical Name:
Undecanenitrile, 5-methoxy-
CAS Number:
88536-57-6
Molecular Formula:
C12H23NO
Molecular Weight:
197.3171
IUPAC Name:
5-methoxyundecanenitrile
InChI:
InChI=1S/C12H23NO/c1-3-4-5-6-9-12(14-2)10-7-8-11-13/h12H,3-10H2,1-2H3
InChI Key:
VNOVZJDDAQQMRL-UHFFFAOYSA-N
SMILES:
CCCCCCC(CCCC#N)OC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.322g/mol
Monoisotopic Mass:
197.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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