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119174-41-3 | Dicarbonic acid, 1,3-bis(2-methylpropyl) ester
CAS No: 119174-41-3 Catalog No: AG000IAO MDL No:
Product Description
Catalog Number:
AG000IAO
Chemical Name:
Dicarbonic acid, 1,3-bis(2-methylpropyl) ester
CAS Number:
119174-41-3
Molecular Formula:
C10H18O5
Molecular Weight:
218.2469
IUPAC Name:
2-methylpropoxycarbonyl 2-methylpropyl carbonate
InChI:
InChI=1S/C10H18O5/c1-7(2)5-13-9(11)15-10(12)14-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key:
AWQXHKHGNWUDDA-UHFFFAOYSA-N
SMILES:
CC(COC(=O)OC(=O)OCC(C)C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.249g/mol
Monoisotopic Mass:
218.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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