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819077-62-8 | 1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-
CAS No: 819077-62-8 Catalog No: AG0055WM MDL No:
Product Description
Catalog Number:
AG0055WM
Chemical Name:
1-Naphthalenecarboxylic acid, 4-[(4-carboxyphenyl)methyl]-
CAS Number:
819077-62-8
Molecular Formula:
C19H14O4
Molecular Weight:
306.3121
IUPAC Name:
4-[(4-carboxyphenyl)methyl]naphthalene-1-carboxylic acid
InChI:
InChI=1S/C19H14O4/c20-18(21)13-7-5-12(6-8-13)11-14-9-10-17(19(22)23)16-4-2-1-3-15(14)16/h1-10H,11H2,(H,20,21)(H,22,23)
InChI Key:
QUKHFIUSGKXYAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Cc1ccc(c2c1cccc2)C(=O)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.089g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.317g/mol
Monoisotopic Mass:
306.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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