Name: Name:2-{2-oxo-1-oxa-4-thiaspiro[4.4]nonan-3-yl}acetic acid
Brand: Angene
SKU: AG01C4W3
Rating: 90 (10 reviews)

2-{2-oxo-1-oxa-4-thiaspiro[4.4]nonan-3-yl}acetic acid

CAS No.:

134767-82-1

Catalog Number:

AG01C4W3

Molecular Formula:

C9H12O4S

Molecular Weight:

216.2542

Catalog Number:

AG01C4W3

Chemical Name:

2-{2-oxo-1-oxa-4-thiaspiro[4.4]nonan-3-yl}acetic acid

CAS Number:

134767-82-1

Molecular Formula:

C9H12O4S

Molecular Weight:

216.2542

MDL Number:

MFCD24480129

IUPAC Name:

2-(2-oxo-1-oxa-4-thiaspiro[4.4]nonan-3-yl)acetic acid

InChI:

InChI=1S/C9H12O4S/c10-7(11)5-6-8(12)13-9(14-6)3-1-2-4-9/h6H,1-5H2,(H,10,11)

InChI Key:

KZPNJNAEUVMDMA-UHFFFAOYSA-N

SMILES:

OC(=O)CC1SC2(OC1=O)CCCC2

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.251g/mol

Monoisotopic Mass:

216.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3