AG00359I

25550-51-0 | Methylhexahydrophthalic anhydride

AG00359I

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CAS Number	25550-51-0
Catalog Number	AG00359I(AGN-PC-0JCZ6J)
Chemical Name	Methylhexahydrophthalic anhydride
IUPAC Name	7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione
InChI	InChI=1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3
InChI Key	VYKXQOYUCMREIS-UHFFFAOYSA-N
MDL Number	MFCD00005927
Molecular Formula	C9H12O3
Molecular Weight	168.1898
SMILES	O=C1OC(=O)C2(C)(CCCCC12)
Synonyms	Methylhexahydrophthalic anhydride, 25550-51-0, 3a-Methylhexahydroisobenzofuran-1,3-dione, MHHPA, 48122-14-1, Hexahydromethylphthalic anhydride, Methyl hexahydrophthalic anhydride, hexahydromethyl-1,3-isobenzofurandione, methyl-1,2-cyclohexanedicarboxylic anhydride, CHEBI:55461, 3a-methylhexahydro-2-benzofuran-1,3-dione, 1,3-Isobenzofurandione, hexahydro-3a-methyl-, W-110637, Methylhexahydrophthalicanhydride, EINECS 247-094-1, EINECS 256-356-4, Hexahydro-1-methylphthalic anhydride, Epitope ID:122963, EC 247-094-1, AC1MI31R, SCHEMBL15660, KSC201Q7F, methylhexahydrophtalic anhydride, CTK1A1872, methyl hexahydrophathalic anhydride, VYKXQOYUCMREIS-UHFFFAOYSA-N, 1-methyltetrahydrophthalic anhydride, KS-00000VV6, 2-Methyl-hexahydrophthalic anhydride, ANW-25754, MFCD22690873, AKOS022178742, Methylhexahydroisobenzofuran-1,3-dione, FCH2309467, FS-5710, RL02849, AK186302, SC-44976, RT-000827, FT-0638534, 1,2-Cyclohexanedicarboxylic anhydride, methyl-, 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione, Hexahydro-4-methylphthalic anhydride, C9H12O3, C9-H12-O3, 1,3-Isobenzofurandione, hexahydromethyl-, ACN-035061, CID3016472, 19438-60-9,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.192g/mol
Monoisotopic Mass	168.079g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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