4-(2-cyclopropylethynyl)-2-methylbenzoic acid

4-(2-cyclopropylethynyl)-2-methylbenzoic acid

CAS: 908247-44-9

Formula: C13H12O2

SMILES: CC1=CC(=CC=C1C(O)=O)C#CC1CC1

IUPAC: 4-(2-cyclopropylethynyl)-2-methylbenzoic acid

InChI: InChI=1S/C13H12O2/c1-9-8-11(5-4-10-2-3-10)6-7-12(9)13(14)15/h6-8,10H,2-3H2,1H3,(H,14,15)

Composition: C (77.98%), H (6.04%), O (15.98%)

Molar Mass: 200.237

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.083729626
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SICVWYNZRQRPMS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.38
Topological Polar Surface Area	37.3
Polarizability	21.79
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	908247-44-9		$31.53-$49.18$31.53$49.18