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832110-90-4 | 7-Oxabicyclo[4.1.0]hepta-2,4-diene-1,6-dimethanol, diacetate
CAS No: 832110-90-4 Catalog No: AG004UXQ MDL No:
Product Description
Catalog Number:
AG004UXQ
Chemical Name:
7-Oxabicyclo[4.1.0]hepta-2,4-diene-1,6-dimethanol, diacetate
CAS Number:
832110-90-4
Molecular Formula:
C12H18O7
Molecular Weight:
274.2671
IUPAC Name:
acetic acid;[6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-2,4-dien-1-yl]methanol
InChI:
InChI=1S/C8H10O3.2C2H4O2/c9-5-7-3-1-2-4-8(7,6-10)11-7;2*1-2(3)4/h1-4,9-10H,5-6H2;2*1H3,(H,3,4)
InChI Key:
AKBPDYQJUIUYHR-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OCC12C=CC=CC2(O1)CO
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.269g/mol
Monoisotopic Mass:
274.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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