4-(2-carboxyeth-1-yn-1-yl)benzoic acid

4-(2-carboxyeth-1-yn-1-yl)benzoic acid

Formula: C10H6O4

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

IUPAC: 4-(2-carboxyeth-1-yn-1-yl)benzoic acid

InChI: InChI=1S/C10H6O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,(H,11,12)(H,13,14)

Composition: C (63.16%), H (3.18%), O (33.65%)

Molar Mass: 190.154

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	190.026608673
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZDVLJCAJPABTSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.7
Topological Polar Surface Area	74.6
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C10H6O4		Quote Only