Benzoic acid,4-[(1E)-2-[5,6-dihydro-5,5-dimethyl-8-(phenylethynyl)-2-naphthalenyl]ethenyl]-


Chemical Name: Benzoic acid,4-[(1E)-2-[5,6-dihydro-5,5-dimethyl-8-(phenylethynyl)-2-naphthalenyl]ethenyl]-
CAS Number: 215030-90-3
Product Number: AG00711K(AGN-PC-0QY22C)
Synonyms:
MDL No: MFCD17215944
Molecular Formula: C29H24O2
Molecular Weight: 404.4997

Identification/Properties


Computed Properties
Molecular Weight:
404.509g/mol
XLogP3:
7.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
404.178g/mol
Monoisotopic Mass:
404.178g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
759
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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