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128645-71-6 | Benzoic acid, 2-[[(5-ethenyl-2-hydroxyphenyl)methylene]amino]-
CAS No: 128645-71-6 Catalog No: AG000Y9P MDL No:
Product Description
Catalog Number:
AG000Y9P
Chemical Name:
Benzoic acid, 2-[[(5-ethenyl-2-hydroxyphenyl)methylene]amino]-
CAS Number:
128645-71-6
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-[(5-ethenyl-2-hydroxyphenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C16H13NO3/c1-2-11-7-8-15(18)12(9-11)10-17-14-6-4-3-5-13(14)16(19)20/h2-10,18H,1H2,(H,19,20)
InChI Key:
WKKREXTWBUWJNS-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(c(c1)C=Nc1ccccc1C(=O)O)O
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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