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827607-35-2 | 2-Propenoic acid,hexahydro-5,5-dimethyl-2,6-methanofuro[3,2-b]furan-3-yl ester
CAS No: 827607-35-2 Catalog No: AG0056ZV MDL No:
Product Description
Catalog Number:
AG0056ZV
Chemical Name:
2-Propenoic acid,hexahydro-5,5-dimethyl-2,6-methanofuro[3,2-b]furan-3-yl ester
CAS Number:
827607-35-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
(5,5-dimethyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate
InChI:
InChI=1S/C12H16O4/c1-4-8(13)15-10-7-5-6-9(14-7)11(10)16-12(6,2)3/h4,6-7,9-11H,1,5H2,2-3H3
InChI Key:
MWUHXEROIATSHY-UHFFFAOYSA-N
SMILES:
C=CC(=O)OC1C2OC3C1OC(C3C2)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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