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168618-46-0 | Benzoic acid, 3-(2-naphthalenyl)-
CAS No: 168618-46-0 Catalog No: AG001Y70 MDL No:MFCD04117444
Product Description
Catalog Number:
AG001Y70
Chemical Name:
Benzoic acid, 3-(2-naphthalenyl)-
CAS Number:
168618-46-0
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
MDL Number:
MFCD04117444
IUPAC Name:
3-naphthalen-2-ylbenzoic acid
InChI:
InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)
InChI Key:
QOPDOKREBSOVNG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc2c(c1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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