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9036-87-7 | adipic acid; ethylene glycol; propane-1,2-diol
CAS No: 9036-87-7 Catalog No: AG006QY4 MDL No:
Product Description
Catalog Number:
AG006QY4
Chemical Name:
adipic acid; ethylene glycol; propane-1,2-diol
CAS Number:
9036-87-7
Molecular Formula:
C11H24O8
Molecular Weight:
284.3035
IUPAC Name:
ethane-1,2-diol;hexanedioic acid;propane-1,2-diol
InChI:
InChI=1S/C6H10O4.C3H8O2.C2H6O2/c7-5(8)3-1-2-4-6(9)10;1-3(5)2-4;3-1-2-4/h1-4H2,(H,7,8)(H,9,10);3-5H,2H2,1H3;3-4H,1-2H2
InChI Key:
SBTWDPVRUJHZSW-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(=O)O.OCC(O)C.OCCO
EC Number:
607-951-6
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
284.305g/mol
Monoisotopic Mass:
284.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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