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132087-08-2 | 1,3-Dioxolane-2-propanoic acid, 2-methyl-, butyl ester
CAS No: 132087-08-2 Catalog No: AG001064 MDL No:
Product Description
Catalog Number:
AG001064
Chemical Name:
1,3-Dioxolane-2-propanoic acid, 2-methyl-, butyl ester
CAS Number:
132087-08-2
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
butyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate
InChI:
InChI=1S/C11H20O4/c1-3-4-7-13-10(12)5-6-11(2)14-8-9-15-11/h3-9H2,1-2H3
InChI Key:
IKJOYSRYKINCGN-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCC1(C)OCCO1
Properties
Complexity:
197
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:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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