Name: Name:1,4-Dioxaspiro[4.5]decan-8-ol, 8-(5-bromo-2-pyridinyl)-
Brand: Angene
SKU: AG00IC3X
Rating: 90 (10 reviews)

1,4-Dioxaspiro[4.5]decan-8-ol, 8-(5-bromo-2-pyridinyl)-

CAS No.:

708274-37-7

Catalog Number:

AG00IC3X

Molecular Formula:

C13H16BrNO3

Molecular Weight:

314.1750

Catalog Number:

AG00IC3X

Chemical Name:

1,4-Dioxaspiro[4.5]decan-8-ol, 8-(5-bromo-2-pyridinyl)-

CAS Number:

708274-37-7

Molecular Formula:

C13H16BrNO3

Molecular Weight:

314.1750

MDL Number:

MFCD28964012

IUPAC Name:

8-(5-bromopyridin-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol

InChI:

InChI=1S/C13H16BrNO3/c14-10-1-2-11(15-9-10)12(16)3-5-13(6-4-12)17-7-8-18-13/h1-2,9,16H,3-8H2

InChI Key:

LMXWFQPXVACYFQ-UHFFFAOYSA-N

SMILES:

Brc1ccc(nc1)C1(O)CCC2(CC1)OCCO2

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

313.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.179g/mol

Monoisotopic Mass:

313.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2