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89398-43-6 | Bicyclo[4.2.1]non-7-ene-1,6-diol, diacetate
CAS No: 89398-43-6 Catalog No: AG003WAU MDL No:
Product Description
Catalog Number:
AG003WAU
Chemical Name:
Bicyclo[4.2.1]non-7-ene-1,6-diol, diacetate
CAS Number:
89398-43-6
Molecular Formula:
C13H22O6
Molecular Weight:
274.3102
IUPAC Name:
acetic acid;bicyclo[4.2.1]non-7-ene-1,6-diol
InChI:
InChI=1S/C9H14O2.2C2H4O2/c10-8-3-1-2-4-9(11,7-8)6-5-8;2*1-2(3)4/h5-6,10-11H,1-4,7H2;2*1H3,(H,3,4)
InChI Key:
PZSRTBMLTQTMSS-UHFFFAOYSA-N
SMILES:
OC12CCCCC(C2)(C=C1)O.CC(=O)O.CC(=O)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
274.313g/mol
Monoisotopic Mass:
274.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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