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78644-63-0 | Propanedioic acid, (3-methylbutyl)-, ethyl methyl ester
CAS No: 78644-63-0 Catalog No: AG005K2H MDL No:
Product Description
Catalog Number:
AG005K2H
Chemical Name:
Propanedioic acid, (3-methylbutyl)-, ethyl methyl ester
CAS Number:
78644-63-0
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
1-O-ethyl 3-O-methyl 2-(3-methylbutyl)propanedioate
InChI:
InChI=1S/C11H20O4/c1-5-15-11(13)9(10(12)14-4)7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChI Key:
GCEFUPXTMPGQOC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OC)CCC(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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