4-(2H-1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one

4-(2H-1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one

CAS: 150019-57-1

Formula: C13H14O4

SMILES: OC1(CCC(=O)CC1)C1=CC=C2OCOC2=C1

IUPAC: 4-(2H-1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one

InChI: InChI=1S/C13H14O4/c14-10-3-5-13(15,6-4-10)9-1-2-11-12(7-9)17-8-16-11/h1-2,7,15H,3-6,8H2

Composition: C (66.66%), H (6.02%), O (27.32%)

Molar Mass: 234.251

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.089208931
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ISBCBGZLNXQEEF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.19
Topological Polar Surface Area	55.76
Polarizability	23.83
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	150019-57-1		$180.09-$605.48$180.09$296.01$605.48

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	150019-57-1		$126.50-$469.20$126.50$219.65$469.20