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130226-18-5 | Benzonitrile, 3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]-
CAS No: 130226-18-5 Catalog No: AG000U5R MDL No:MFCD21091766
Product Description
Catalog Number:
AG000U5R
Chemical Name:
Benzonitrile, 3,5-dimethyl-4-[3-(3-methyl-5-isoxazolyl)propoxy]-
CAS Number:
130226-18-5
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
MDL Number:
MFCD21091766
IUPAC Name:
3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzonitrile
InChI:
InChI=1S/C16H18N2O2/c1-11-7-14(10-17)8-12(2)16(11)19-6-4-5-15-9-13(3)18-20-15/h7-9H,4-6H2,1-3H3
InChI Key:
NTPDIYPZAUXUOM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)OCCCc1onc(c1)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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