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O4I1

CAS No.:
175135-47-4
Catalog Number:
AG00207V
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98+%
1 week
United States
$48
- +
Product Description
Catalog Number:
AG00207V
Chemical Name:
O4I1
CAS Number:
175135-47-4
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD00067778
IUPAC Name:
2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
InChI:
InChI=1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3
InChI Key:
QJEJLARVLKHYFW-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCc1ccc(cc1)OC
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties