3-(naphthalen-2-yl)prop-2-ynoic acid

3-(naphthalen-2-yl)prop-2-ynoic acid

CAS: 4843-43-0

Formula: C13H8O2

SMILES: OC(=O)C#CC1=CC2=CC=CC=C2C=C1

IUPAC: 3-(naphthalen-2-yl)prop-2-ynoic acid

InChI: InChI=1S/C13H8O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,(H,14,15)

Composition: C (79.58%), H (4.11%), O (16.31%)

Molar Mass: 196.205

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	196.052429498
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XWMRRMQMFPBLTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.9
Topological Polar Surface Area	37.3
Polarizability	22.78
Ring Count	2
Rotatable Bond Count	2

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