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110113-96-7 | 4-[2-(quinolin-2-yl)ethenyl]benzoic acid
CAS No: 110113-96-7 Catalog No: AG019UVC MDL No:MFCD05988523
Product Description
Catalog Number:
AG019UVC
Chemical Name:
4-[2-(quinolin-2-yl)ethenyl]benzoic acid
CAS Number:
110113-96-7
Molecular Formula:
C18H13NO2
Molecular Weight:
275.3013
MDL Number:
MFCD05988523
IUPAC Name:
4-(2-quinolin-2-ylethenyl)benzoic acid
InChI:
InChI=1S/C18H13NO2/c20-18(21)15-8-5-13(6-9-15)7-11-16-12-10-14-3-1-2-4-17(14)19-16/h1-12H,(H,20,21)
InChI Key:
BYCHJWRZXPXCKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C=Cc1ccc2c(n1)cccc2
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.307g/mol
Monoisotopic Mass:
275.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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