Name: Name:7-methoxy-2-oxo-2H-1,3-benzoxathiole-5-carbaldehyde
Brand: Angene
SKU: AG01A8RC
Rating: 90 (10 reviews)

7-methoxy-2-oxo-2H-1,3-benzoxathiole-5-carbaldehyde

CAS No.:

4991-69-9

Catalog Number:

AG01A8RC

Molecular Formula:

C9H6O4S

Molecular Weight:

210.2065

Catalog Number:

AG01A8RC

Chemical Name:

7-methoxy-2-oxo-2H-1,3-benzoxathiole-5-carbaldehyde

CAS Number:

4991-69-9

Molecular Formula:

C9H6O4S

Molecular Weight:

210.2065

MDL Number:

MFCD16547546

IUPAC Name:

7-methoxy-2-oxo-1,3-benzoxathiole-5-carbaldehyde

InChI:

InChI=1S/C9H6O4S/c1-12-6-2-5(4-10)3-7-8(6)13-9(11)14-7/h2-4H,1H3

InChI Key:

CHKUOUCLUGYPJO-UHFFFAOYSA-N

SMILES:

COc1cc(C=O)cc2c1oc(=O)s2

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.203g/mol

Monoisotopic Mass:

209.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7