1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 95%

Name: 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Brand: Chempure

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CAS Number

10373-78-1

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IUPAC name	1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
canonical smiles	CC1(C2CCC1(C(=O)C2=O)C)C
inchi	InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3
inchi key	VNQXSTWCDUXYEZ-UHFFFAOYSA-N
molecular formula	C10H14O2
synonyms	Camphorquinone 10373-78-1 DL-CAMPHORQUINONE 2,3-Bornanedione 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione
Compound Description	Bornane-2,3-dione is a bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3. It is a bornane monoterpenoid and a carbobicyclic compound.

Computed Properties

Molecular Weight:	166.22 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	166.099379685 g/mol
Monoisotopic Mass:	166.099379685 g/mol
Topological Polar Surface Area:	34.1 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	278
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause irritation.

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Product No: AY4107

1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 95%

Product No: AY4107

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