Name: Name:2,2-Dimethyl-4-oxochroman-6-carboxylic acid
Brand: Angene
SKU: AG00EEX5
Rating: 90 (10 reviews)

2,2-Dimethyl-4-oxochroman-6-carboxylic acid

CAS No.:

65372-54-5

Catalog Number:

AG00EEX5

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

250mg

97%

1 week

United States

$302

- +

97%

1 week

United States

$725

- +

97%

1 week

United States

$2100

- +

Product Description

Catalog Number:

AG00EEX5

Chemical Name:

2,2-Dimethyl-4-oxochroman-6-carboxylic acid

CAS Number:

65372-54-5

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

MDL Number:

MFCD10009218

IUPAC Name:

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

InChI:

InChI=1S/C12H12O4/c1-12(2)6-9(13)8-5-7(11(14)15)3-4-10(8)16-12/h3-5H,6H2,1-2H3,(H,14,15)

InChI Key:

PTOMGSWLGSRLCK-UHFFFAOYSA-N

SMILES:

O=C1CC(C)(C)Oc2c1cc(cc2)C(=O)O

Properties

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.224g/mol

Monoisotopic Mass:

220.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
Antimicrobial activity of Piper gaudichaudianum Kuntze and its synergism with different antibiotics.	Molecules (Basel, Switzerland) 20111201
N'-tert-Butyl-N'-(3,5-dimethyl-benzo-yl)-2,2-dimethyl-4-oxochroman-6-carbo-hydrazide.	Acta crystallographica. Section E, Structure reports online 20090801