4-(3-methyloxetan-3-yl)benzoic acid

4-(3-methyloxetan-3-yl)benzoic acid

CAS: 1315567-78-2

Formula: C11H12O3

SMILES: CC1(COC1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(3-methyloxetan-3-yl)benzoic acid

InChI: InChI=1S/C11H12O3/c1-11(6-14-7-11)9-4-2-8(3-5-9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)

Composition: C (68.74%), H (6.29%), O (24.97%)

Molar Mass: 192.214

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.078644246
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BLUZXLDFYTYRSO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.02
Topological Polar Surface Area	46.53
Polarizability	19.91
Ring Count	2
Rotatable Bond Count	2

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98%	<2 Days	1315567-78-2		$179.40-$4,597.70$179.40$243.80$373.75$631.35$1,147.70$4,597.70