AG00DECQ

562-13-0 | 2,2-Dimethylcyclohexane-1,3-dione

AG00DECQ

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CAS Number	562-13-0
Catalog Number	AG00DECQ(AGN-PC-0JSQXN)
Chemical Name	2,2-Dimethylcyclohexane-1,3-dione
IUPAC Name	2,2-dimethylcyclohexane-1,3-dione
InChI	InChI=1S/C8H12O2/c1-8(2)6(9)4-3-5-7(8)10/h3-5H2,1-2H3
InChI Key	AOPBDTHQAIWWMI-UHFFFAOYSA-N
MDL Number	MFCD14708261
Molecular Formula	C8H12O2
Molecular Weight	140.1797
SMILES	O=C1C(C)(C)C(CCC1)=O
Synonyms	2,2-dimethylcyclohexane-1,3-dione, 562-13-0, 2,2-Dimethyl-1,3-cyclohexanedione, AOPBDTHQAIWWMI-UHFFFAOYSA-N, 1,3-Cyclohexanedione, 2,2-dimethyl-, AC1LB413, SCHEMBL1549719, CTK1F5074, DTXSID00338759, MFCD14708261, ZINC32218357, AKOS015842125, FCH1145186, FR-2449, SB17587, AJ-85039, AK130254, AS-51038, AX8226420, TR-019753, CS-0052186, FT-0676000, FR-2449 2,2-Dimethyl-1,3-cyclohexanedione, 2,2-Dimethyl-1,3-cyclohexanedione, AldrichCPR, ACN-S005687, CID550967,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	140.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	140.182g/mol
Monoisotopic Mass	140.084g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number