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40967-67-7 | Trimethyl ethane-1,1,2-tricarboxylate
CAS No: 40967-67-7 Catalog No: AG003V3B MDL No:MFCD00015619
Product Description
Catalog Number:
AG003V3B
Chemical Name:
Trimethyl ethane-1,1,2-tricarboxylate
CAS Number:
40967-67-7
Molecular Formula:
C8H12O6
Molecular Weight:
204.1773
MDL Number:
MFCD00015619
IUPAC Name:
trimethyl ethane-1,1,2-tricarboxylate
InChI:
InChI=1S/C8H12O6/c1-12-6(9)4-5(7(10)13-2)8(11)14-3/h5H,4H2,1-3H3
InChI Key:
CFXNPIZDNPUMFS-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(=O)OC)C(=O)OC
NSC Number:
156145
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.178g/mol
Monoisotopic Mass:
204.063g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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