Name: Name:spiro[1,3-dioxolane-2,8'-pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane]-11'-one
Brand: Angene
SKU: AG019WB9
Rating: 90 (10 reviews)

spiro[1,3-dioxolane-2,8'-pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane]-11'-one

CAS No.:

58228-93-6

Catalog Number:

AG019WB9

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG019WB9

Chemical Name:

spiro[1,3-dioxolane-2,8'-pentacyclo[5.4.0.0^{2,6}.0^{3,10}.0^{5,9}]undecane]-11'-one

CAS Number:

58228-93-6

Molecular Formula:

C13H14O3

Molecular Weight:

218.2485

MDL Number:

MFCD00180935

IUPAC Name:

spiro[1,3-dioxolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one

InChI:

InChI=1S/C13H14O3/c14-12-8-4-3-5-7-6(4)9(12)11(7)13(10(5)8)15-1-2-16-13/h4-11H,1-3H2

InChI Key:

CBWMOBFPWMOJKZ-UHFFFAOYSA-N

SMILES:

O=C1C2C3C4C1C1C5(C2C(C3)C41)OCCO5

NSC Number:

177465

Properties

Complexity:

439

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.252g/mol

Monoisotopic Mass:

218.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101