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23325-87-3 | Benzeneacetonitrile, α-[(2,3-dimethoxyphenyl)methylene]-4-methoxy-
CAS No: 23325-87-3 Catalog No: AG002MUR MDL No:
Product Description
Catalog Number:
AG002MUR
Chemical Name:
Benzeneacetonitrile, α-[(2,3-dimethoxyphenyl)methylene]-4-methoxy-
CAS Number:
23325-87-3
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C18H17NO3/c1-20-16-9-7-13(8-10-16)15(12-19)11-14-5-4-6-17(21-2)18(14)22-3/h4-11H,1-3H3/b15-11+
InChI Key:
SLBSTCSDSLOBHC-RVDMUPIBSA-N
SMILES:
COc1ccc(cc1)C(=Cc1cccc(c1OC)OC)C#N
NSC Number:
130863
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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