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87044-42-6 | 6,8-Dioxabicyclo[3.2.1]octane-5-propanoic acid, 1-methyl-7-oxo-
CAS No: 87044-42-6 Catalog No: AG004GJG MDL No:
Product Description
Catalog Number:
AG004GJG
Chemical Name:
6,8-Dioxabicyclo[3.2.1]octane-5-propanoic acid, 1-methyl-7-oxo-
CAS Number:
87044-42-6
Molecular Formula:
C10H14O5
Molecular Weight:
214.2152
IUPAC Name:
3-(1-methyl-7-oxo-6,8-dioxabicyclo[3.2.1]octan-5-yl)propanoic acid
InChI:
InChI=1S/C10H14O5/c1-9-4-2-5-10(15-9,14-8(9)13)6-3-7(11)12/h2-6H2,1H3,(H,11,12)
InChI Key:
IKUYZGFNTWICAW-UHFFFAOYSA-N
SMILES:
OC(=O)CCC12CCCC(O2)(C(=O)O1)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.217g/mol
Monoisotopic Mass:
214.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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