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83898-14-0 | Benzenebutanenitrile, g-ethoxy-4-methyl-
CAS No: 83898-14-0 Catalog No: AG004RFV MDL No:
Product Description
Catalog Number:
AG004RFV
Chemical Name:
Benzenebutanenitrile, g-ethoxy-4-methyl-
CAS Number:
83898-14-0
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
4-ethoxy-4-(4-methylphenyl)butanenitrile
InChI:
InChI=1S/C13H17NO/c1-3-15-13(5-4-10-14)12-8-6-11(2)7-9-12/h6-9,13H,3-5H2,1-2H3
InChI Key:
XNTCRZPEWZRCPA-UHFFFAOYSA-N
SMILES:
CCOC(c1ccc(cc1)C)CCC#N
EC Number:
281-222-7
NSC Number:
62702
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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