Name: Name:OXONOL 805 BLUE
Brand: Angene
SKU: AG003TIV
Rating: 90 (10 reviews)

OXONOL 805 BLUE

CAS No.:

27969-56-8

Catalog Number:

AG003TIV

Molecular Formula:

Molecular Weight:

Catalog Number:

AG003TIV

Chemical Name:

OXONOL 805 BLUE

CAS Number:

27969-56-8

MDL Number:

MFCD00213904

IUPAC Name:

4-[3-methyl-4-[(1E,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

InChI:

InChI=1S/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,22H,1-2H3,(H,32,33,34)(H,35,36,37)/b5-3+,6-4+,23-7-

InChI Key:

ZYEKPKUEHLUSET-GSLHRLMQSA-N

EC Number:

248-752-0

Complexity:

1350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

570.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

570.591g/mol

Monoisotopic Mass:

570.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

191A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6