Name: Name:5-[4-(3,5-DiMethyl-4-nitrostyryl)benzaMido]-2-(6-hydroxy-3-oxo-3H-xanthene-9-yl)benzoic Acid Monohydrate
Brand: Angene
SKU: AG008X6I
Rating: 90 (10 reviews)

5-[4-(3,5-DiMethyl-4-nitrostyryl)benzaMido]-2-(6-hydroxy-3-oxo-3H-xanthene-9-yl)benzoic Acid Monohydrate

CAS No.:

1160555-05-4

Catalog Number:

AG008X6I

Molecular Formula:

Molecular Weight:

Catalog Number:

AG008X6I

Chemical Name:

5-[4-(3,5-DiMethyl-4-nitrostyryl)benzaMido]-2-(6-hydroxy-3-oxo-3H-xanthene-9-yl)benzoic Acid Monohydrate

CAS Number:

1160555-05-4

MDL Number:

MFCD23143152

IUPAC Name:

5-[[4-[2-(3,5-dimethyl-4-nitrophenyl)ethenyl]benzoyl]amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

InChI:

InChI=1S/C37H26N2O8/c1-20-15-23(16-21(2)35(20)39(45)46)4-3-22-5-7-24(8-6-22)36(42)38-25-9-12-28(31(17-25)37(43)44)34-29-13-10-26(40)18-32(29)47-33-19-27(41)11-14-30(33)34/h3-19,40H,1-2H3,(H,38,42)(H,43,44)

InChI Key:

UQQWUXKLZVVNDR-UHFFFAOYSA-N

Complexity:

1360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

626.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

626.621g/mol

Monoisotopic Mass:

626.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

159A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1