3-methyloxane-3-carboxylic acid

3-methyloxane-3-carboxylic acid

CAS: 1158760-05-4

Formula: C7H12O3

SMILES: CC1(CCCOC1)C(O)=O

IUPAC: 3-methyloxane-3-carboxylic acid

InChI: InChI=1/C7H12O3/c1-7(6(8)9)3-2-4-10-5-7/h2-5H2,1H3,(H,8,9)

Composition: C (58.32%), H (8.39%), O (33.29%)

Molar Mass: 144.17

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	144.078644246
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GYXCLKMUISFKJR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.74
Topological Polar Surface Area	46.53
Polarizability	14.16
Ring Count	1
Rotatable Bond Count	1

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1158760-05-4		$165.60-$2,524.25$165.60$216.20$316.25$516.35$917.70$2,524.25