Name: Name:2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid
Brand: Angene
SKU: AG0057C7
Rating: 90 (10 reviews)

2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid

CAS No.:

80866-93-9

Catalog Number:

AG0057C7

Molecular Formula:

C8H10O4

Molecular Weight:

170.1626

Catalog Number:

AG0057C7

Chemical Name:

2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylic acid

CAS Number:

80866-93-9

Molecular Formula:

C8H10O4

Molecular Weight:

170.1626

MDL Number:

MFCD00006575

IUPAC Name:

2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid

InChI:

InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)

InChI Key:

ANKQOBXQEHGUJT-UHFFFAOYSA-N

SMILES:

O=C1C=C(OC(C1)(C)C)C(=O)O

EC Number:

279-596-1

Complexity:

262

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.164g/mol

Monoisotopic Mass:

170.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3