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102509-89-7 | Benzenepropanenitrile, 4-ethoxy-β,β-dimethyl-
CAS No: 102509-89-7 Catalog No: AG0007MZ MDL No:
Product Description
Catalog Number:
AG0007MZ
Chemical Name:
Benzenepropanenitrile, 4-ethoxy-β,β-dimethyl-
CAS Number:
102509-89-7
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
3-(4-ethoxyphenyl)-3-methylbutanenitrile
InChI:
InChI=1S/C13H17NO/c1-4-15-12-7-5-11(6-8-12)13(2,3)9-10-14/h5-8H,4,9H2,1-3H3
InChI Key:
ZKPNIAPXJAPAMS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(CC#N)(C)C
Properties
Complexity:
230
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:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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