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91887-63-7 | 7-Oxabicyclo[2.2.1]heptane-2-acetaldehyde, 3-[(acetyloxy)methyl]-
CAS No: 91887-63-7 Catalog No: AG006B4M MDL No:
Product Description
Catalog Number:
AG006B4M
Chemical Name:
7-Oxabicyclo[2.2.1]heptane-2-acetaldehyde, 3-[(acetyloxy)methyl]-
CAS Number:
91887-63-7
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
[3-(2-oxoethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl acetate
InChI:
InChI=1S/C11H16O4/c1-7(13)14-6-9-8(4-5-12)10-2-3-11(9)15-10/h5,8-11H,2-4,6H2,1H3
InChI Key:
RNGCINLGEWNBDH-UHFFFAOYSA-N
SMILES:
O=CCC1C2CCC(C1COC(=O)C)O2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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