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42726-73-8 | Tert-Butyl Methyl Malonate
CAS No: 42726-73-8 Catalog No: AG0035N9 MDL No:MFCD00042856
Product Description
Catalog Number:
AG0035N9
Chemical Name:
Tert-Butyl Methyl Malonate
CAS Number:
42726-73-8
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00042856
IUPAC Name:
3-O-tert-butyl 1-O-methyl propanedioate
InChI:
InChI=1S/C8H14O4/c1-8(2,3)12-7(10)5-6(9)11-4/h5H2,1-4H3
InChI Key:
XPSYZCWYRWHVCC-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)OC(C)(C)C
EC Number:
255-919-1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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