2,2-Dimethylsuccinic Anhydride - CAS 17347-61-4

Catalog:	BB012927
Product Name:	2,2-Dimethylsuccinic Anhydride
CAS:	17347-61-4
Synonyms:	3,3-dimethyloxolane-2,5-dione; 3,3-dimethyloxolane-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	3,3-dimethyloxolane-2,5-dione
Description:	2,2-Dimethylsuccinic Anhydride (CAS# 17347-61-4) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C6H8O3
Canonical SMILES:	CC1(CC(=O)OC1=O)C
InChI:	InChI=1S/C6H8O3/c1-6(2)3-4(7)9-5(6)8/h3H2,1-2H3
InChI Key:	ACJPFLIEHGFXGP-UHFFFAOYSA-N
Boiling Point:	219-220 °C (lit.)
Melting Point:	29-31 °C (lit.)
Flash Point:	226.4 °CF - closed cup
Purity:	98 %
Density:	1.135 g/mL at 25 °C (lit.)
MDL:	MFCD00022608
LogP:	0.48610

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5