Name: Name:3-(2,3-dihydro-1,4-benzodioxine-6-sulfinyl)propanoic acid
Brand: Angene
SKU: AG01AJMI
Rating: 90 (10 reviews)

3-(2,3-dihydro-1,4-benzodioxine-6-sulfinyl)propanoic acid

CAS No.:

1334012-17-7

Catalog Number:

AG01AJMI

Molecular Formula:

C11H12O5S

Molecular Weight:

256.2750

Catalog Number:

AG01AJMI

Chemical Name:

3-(2,3-dihydro-1,4-benzodioxine-6-sulfinyl)propanoic acid

CAS Number:

1334012-17-7

Molecular Formula:

C11H12O5S

Molecular Weight:

256.2750

MDL Number:

MFCD19982359

IUPAC Name:

3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)propanoic acid

InChI:

InChI=1S/C11H12O5S/c12-11(13)3-6-17(14)8-1-2-9-10(7-8)16-5-4-15-9/h1-2,7H,3-6H2,(H,12,13)

InChI Key:

PHYGIHOXGVLYEV-UHFFFAOYSA-N

SMILES:

OC(=O)CCS(=O)c1ccc2c(c1)OCCO2

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.272g/mol

Monoisotopic Mass:

256.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2