Name: Name:Acetic acid, 2-[(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester
Brand: Angene
SKU: AG000L6I
Rating: 90 (10 reviews)

Acetic acid, 2-[(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester

CAS No.:

123855-55-0

Catalog Number:

AG000L6I

Molecular Formula:

C13H11NO6S

Molecular Weight:

309.2945

Catalog Number:

AG000L6I

Chemical Name:

Acetic acid, 2-[(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester

CAS Number:

123855-55-0

Molecular Formula:

C13H11NO6S

Molecular Weight:

309.2945

MDL Number:

MFCD08063946

IUPAC Name:

2-(furan-2-ylmethylsulfinyl)-2-(4-nitrophenyl)acetic acid

InChI:

InChI=1S/C13H11NO6S/c15-13(16)12(21(19)8-11-2-1-7-20-11)9-3-5-10(6-4-9)14(17)18/h1-7,12H,8H2,(H,15,16)

InChI Key:

DNKPBQVNNBANEQ-UHFFFAOYSA-N

SMILES:

O=S(Cc1ccco1)CC(=O)Oc1ccc(cc1)[N+](=O)[O-]

EC Number:

602-959-6

Complexity:

415

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.292g/mol

Monoisotopic Mass:

309.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3