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116118-60-6 | 1,3-Dioxolane-4-heptanoic acid, 2,2-dimethyl-, methyl ester, (R)- (9CI)
CAS No: 116118-60-6 Catalog No: AG000BNY MDL No:
Product Description
Catalog Number:
AG000BNY
Chemical Name:
1,3-Dioxolane-4-heptanoic acid, 2,2-dimethyl-, methyl ester, (R)- (9CI)
CAS Number:
116118-60-6
Molecular Formula:
C13H24O4
Molecular Weight:
244.3273
IUPAC Name:
methyl 7-(2,2-dimethyl-1,3-dioxolan-4-yl)heptanoate
InChI:
InChI=1S/C13H24O4/c1-13(2)16-10-11(17-13)8-6-4-5-7-9-12(14)15-3/h11H,4-10H2,1-3H3
InChI Key:
IAHFOILLJJFPCX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC[C@@H]1COC(O1)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.167g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.331g/mol
Monoisotopic Mass:
244.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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