4-acetylnaphthalene-1-carboxylic acid

4-acetylnaphthalene-1-carboxylic acid

CAS: 131986-05-5

Formula: C13H10O3

SMILES: CC(=O)C1=C2C=CC=CC2=C(C=C1)C(O)=O

IUPAC: 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)

Composition: C (72.89%), H (4.71%), O (22.41%)

Molar Mass: 214.22

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.062994182
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DOCFRBZXXQJPBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.17
Topological Polar Surface Area	54.37
Polarizability	23.9
Ring Count	2
Rotatable Bond Count	2

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