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823791-70-4 | Benzenamine, 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS No: 823791-70-4 Catalog No: AG005D6O MDL No:
Product Description
Catalog Number:
AG005D6O
Chemical Name:
Benzenamine, 2-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS Number:
823791-70-4
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)ethenyl]aniline
InChI:
InChI=1S/C16H17NO2/c1-18-15-10-8-12(11-16(15)19-2)7-9-13-5-3-4-6-14(13)17/h3-11H,17H2,1-2H3
InChI Key:
CGEVVYVDYCFNAV-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2ccccc2N)ccc1OC
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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