(2R,6'S)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

(2R,6'S)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

CAS: 126-07-8

Formula: C17H17ClO6

SMILES: COC1=CC(OC)=C(Cl)C2=C1C(=O)[C@@]1(O2)[C@@H](C)CC(=O)C=C1OC

IUPAC: (2R,6'S)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohexan]-2'-ene-3,4'-dione

InChI: InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m0/s1

Composition: C (57.88%), H (4.86%), Cl (10.05%), O (27.21%)

Molar Mass: 352.77

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	352.071366
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DDUHZTYCFQRHIY-WNWIJWBNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.85
Topological Polar Surface Area	71.06
Polarizability	33.76
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	126-07-8		$42.87-$88.27$42.87$88.27