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3605-65-0

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Basic Information
CAS No.: 3605-65-0
Name: (2-BUTANOLATO)BIS(2-PROPANOLATO)ALUMINIUM
Molecular Structure:
Molecular Structure of 3605-65-0 ((2-BUTANOLATO)BIS(2-PROPANOLATO)ALUMINIUM)
Formula: C10H23AlO3
Molecular Weight: 218.2694
Synonyms: Aluminumsec-butoxide isopropoxide (7CI);Aluminum, sec-butoxydiisopropoxy- (8CI);2-Butanol, aluminum complex;AlumichelateAMD;Aluminum mono-sec-butoxide diisopropoxide;Mono-sec-butoxyaluminumdiisopropylate;sec-Butoxydiisopropoxyaluminum;
EINECS: 222-766-7
Boiling Point: 96.6°C at 760 mmHg
Flash Point: 26.7°C
PSA: 69.18000
LogP: 3.20350
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Specification

The (Butan-2-olato)bis(propan-2-olato)aluminium, with the CAS registry number 3605-65-0, is also known as (butan-2-olato)bis(propan-2-olato)aluminium. Its molecular formula is C10H23AlO3 and its molecular weight is 218.2694. Additionally, it has the IUPAC name butan-2-yloxy-di(propan-2-yloxy)alumane.

Other characteristics of the (Butan-2-olato)bis(propan-2-olato)aluminium can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 27.69 Å2; (5)Rotatable Bond Count: 7; (6)Exact Mass: 218.146258; (7)MonoIsotopic Mass: 218.146258; (8)Topological Polar Surface Area: 27.7; (9)Heavy Atom Count: 14; (10)Formal Charge: 0; (11)Complexity: 129; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(CC)O[Al](OC(C)C)OC(C)C
2.InChI: InChI=1/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3/rC10H23AlO3/c1-7-10(6)14-11(12-8(2)3)13-9(4)5/h8-10H,7H2,1-6H3
3.InChIKey: RDASHQZXQNLNMG-CZFGLYHIAP