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77113-72-5 | 2-Propenenitrile, 3-(4-butoxyphenyl)-2-(methoxymethyl)-
CAS No: 77113-72-5 Catalog No: AG005EES MDL No:
Product Description
Catalog Number:
AG005EES
Chemical Name:
2-Propenenitrile, 3-(4-butoxyphenyl)-2-(methoxymethyl)-
CAS Number:
77113-72-5
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
3-(4-butoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
InChI:
InChI=1S/C15H19NO2/c1-3-4-9-18-15-7-5-13(6-8-15)10-14(11-16)12-17-2/h5-8,10H,3-4,9,12H2,1-2H3
InChI Key:
XTBCRAHBBUQKCY-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C=C(COC)C#N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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