Caronic anhydride

CAT: 0127-OR315033-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR315033-01Size:25 g

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CAS Number

67911-21-1

Synonyms

3,3-Dimethyl-1,2-cyclopropanedicarboxylic anhydride, 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione

MDL Number

MFCD09751198

Purity

98%

Smiles

CC1(C)C2C1C(=O)OC2=O

Chemical Information

(1R,5S)-6,6-Dimethyl-3-oxabicyclo(3.1.0)hexane-2,4-dione

CAS Number	67911-21-1
PubChem CID	10374536
IUPAC Name	6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione
Molecular Formula	C7H8O3
Molecular Weight	140.14
XLogP	0.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	207

SMILES

CC1(C2C1C(=O)OC2=O)C

InChI

InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3

InChIKey

QKAHKEDLPBJLFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67911-21-1

CID: 10374536

Formula: C7H8O3

MW: 140.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.14
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	140.047344113
Monoisotopic Mass	140.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	207
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1015172-01	Tetrabromophthalic anhydride
OR1076470	Sedoheptulose anhydride
OR1030628-01	Isovaleric Anhydride
BUP19259	Succinic anhydride
OR1024672-01	Diphenylacetic Anhydride
OR1024537-01	Stearic Anhydride
OR1000028	Butyric anhydride
BUP16041-01	Trimethylacetic anhydride
OR1014571-01	Palmitic Anhydride
OR51756-01	Phthalic anhydride

Catalog	Name
RM-A321000-01	Caronic Anhydride
RM-A321001-01	Caronic Anhydride Impurity 1
AR-C06368-01	Cis-Caronic Acid
103360 250	Caproic anhydride (Hexanoic anhydride)
15025222-25g	2,3-Pyridinedicarboxylic anhydride (Quinolinic anhydride)
GTR19202281-01	Nicotinic anhydride
FI01742-01	Isatoic anhydride
FD11051-01	Diglycolic anhydride
FC47323-01	Citraconic anhydride
FT36717-01	Trimellitic anhydride