Name: Name:(Z)-4-Acetoxy-3-(4-(methylsulfonyl) phenyl)-2-phenylbut-2-enoic acid
Brand: Angene
SKU: AG00HZXM
Rating: 90 (10 reviews)

(Z)-4-Acetoxy-3-(4-(methylsulfonyl) phenyl)-2-phenylbut-2-enoic acid

CAS No.:

179174-79-9

Catalog Number:

AG00HZXM

Molecular Formula:

C19H18O6S

Molecular Weight:

374.4076

Catalog Number:

AG00HZXM

Chemical Name:

(Z)-4-Acetoxy-3-(4-(methylsulfonyl) phenyl)-2-phenylbut-2-enoic acid

CAS Number:

179174-79-9

Molecular Formula:

C19H18O6S

Molecular Weight:

374.4076

MDL Number:

MFCD20921860

IUPAC Name:

(Z)-4-acetyloxy-3-(4-methylsulfonylphenyl)-2-phenylbut-2-enoic acid

InChI:

InChI=1S/C19H18O6S/c1-13(20)25-12-17(14-8-10-16(11-9-14)26(2,23)24)18(19(21)22)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,21,22)/b18-17+

InChI Key:

RPWJWEFMAVOUBY-ISLYRVAYSA-N

SMILES:

OC(=O)/C(=C(/c1ccc(cc1)S(=O)(=O)C)\COC(=O)C)/c1ccccc1

Complexity:

644

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

374.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

374.407g/mol

Monoisotopic Mass:

374.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7