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131986-05-5 | 1-Naphthalenecarboxylic acid, 4-acetyl-
CAS No: 131986-05-5 Catalog No: AG00100X MDL No:
Product Description
Catalog Number:
AG00100X
Chemical Name:
1-Naphthalenecarboxylic acid, 4-acetyl-
CAS Number:
131986-05-5
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
4-acetylnaphthalene-1-carboxylic acid
InChI:
InChI=1S/C13H10O3/c1-8(14)9-6-7-12(13(15)16)11-5-3-2-4-10(9)11/h2-7H,1H3,(H,15,16)
InChI Key:
DOCFRBZXXQJPBD-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c2c1cccc2)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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