AG000L8Q

123927-75-3 | Trimethoxy(pentamethylcyclopentadienyl) titanium(IV)

AG000L8Q

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CAS Number	123927-75-3
Catalog Number	AG000L8Q(AGN-PC-0PHP76)
Chemical Name	Trimethoxy(pentamethylcyclopentadienyl) titanium(IV)
IUPAC Name	methanol;1,2,3,4,5-pentamethylcyclopentane;titanium
InChI	InChI=1S/C10H15.3CH4O.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h1-5H3;3*2H,1H3;
InChI Key	PMQRIIBEJFVMIW-UHFFFAOYSA-N
MDL Number	MFCD00269850
Molecular Formula	C13H24O3Ti
Molecular Weight	276.1949
SMILES	CC1=C(C)C(C)=C(C)[C-]1C.[O-]C.[O-]C.[O-]C.[Ti+4]
Synonyms	123927-75-3, Trimethoxy(pentamethylcyclopentadienyl) titanium(IV), MFCD00269850, AKOS015910259, carbanide,cyclopenta-1,3-diene,methanolate,titanium, I14-40775, 6-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one, CID10989493, pentamethylcyclopentadienyltitanium trimethoxide, IUPAC: Methanol; 1,2,3,4,5-pentamethylcyclopentane; Titanium,

Complexity	82.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.144g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	279.223g/mol
Monoisotopic Mass	279.144g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227
Packing Group
Precautionary statements	P210e-P280a-P370+P378a-P403+P235-P501a
UN Code	\N

Certificate of Analysis

Lot Number