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14734-25-9 | Butanedioic acid, 1-(1,1-dimethylethyl) 4-methyl ester
CAS No: 14734-25-9 Catalog No: AG001ETY MDL No:MFCD03427170
Product Description
Catalog Number:
AG001ETY
Chemical Name:
Butanedioic acid, 1-(1,1-dimethylethyl) 4-methyl ester
CAS Number:
14734-25-9
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD03427170
IUPAC Name:
4-O-tert-butyl 1-O-methyl butanedioate
InChI:
InChI=1S/C9H16O4/c1-9(2,3)13-8(11)6-5-7(10)12-4/h5-6H2,1-4H3
InChI Key:
KGLNZUDBQPORRI-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)OC(C)(C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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