3-(3-methylphenyl)prop-2-ynoic acid

3-(3-methylphenyl)prop-2-ynoic acid

Formula: C10H8O2

SMILES: CC1=CC(=CC=C1)C#CC(O)=O

IUPAC: 3-(3-methylphenyl)prop-2-ynoic acid

InChI: InChI=1S/C10H8O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,1H3,(H,11,12)

Composition: C (74.99%), H (5.03%), O (19.98%)

Molar Mass: 160.172

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	160.052429498
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PWIGZCSOWROFGW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.49
Topological Polar Surface Area	37.3
Polarizability	17.02
Ring Count	1
Rotatable Bond Count	2

Suppliers

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H8O2		Quote Only