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101877-42-3 | Benzeneacetonitrile, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 101877-42-3 Catalog No: AG0005U2 MDL No:
Product Description
Catalog Number:
AG0005U2
Chemical Name:
Benzeneacetonitrile, 2-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
101877-42-3
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
2-[2-[(3,4-dimethoxyphenyl)methyl]phenyl]acetonitrile
InChI:
InChI=1S/C17H17NO2/c1-19-16-8-7-13(12-17(16)20-2)11-15-6-4-3-5-14(15)9-10-18/h3-8,12H,9,11H2,1-2H3
InChI Key:
DVNWZDHGZGPHEZ-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1Cc1ccc(c(c1)OC)OC
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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