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249278-33-9 | Benzenepropanenitrile, 2,3-bis(phenylmethoxy)-
CAS No: 249278-33-9 Catalog No: AG002PW4 MDL No:MFCD00100648
Product Description
Catalog Number:
AG002PW4
Chemical Name:
Benzenepropanenitrile, 2,3-bis(phenylmethoxy)-
CAS Number:
249278-33-9
Molecular Formula:
C23H21NO2
Molecular Weight:
343.4183
MDL Number:
MFCD00100648
IUPAC Name:
3-[2,3-bis(phenylmethoxy)phenyl]propanenitrile
InChI:
InChI=1S/C23H21NO2/c24-16-8-14-21-13-7-15-22(25-17-19-9-3-1-4-10-19)23(21)26-18-20-11-5-2-6-12-20/h1-7,9-13,15H,8,14,17-18H2
InChI Key:
UUJBHBAEOKFBLQ-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc(c1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.426g/mol
Monoisotopic Mass:
343.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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