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Home > Other Heterocycles > 125566-99-6
125566-99-6 | 2-Propenoic acid, 2-methyl-, 7-oxabicyclo[4.1.0]hept-3-yl ester
CAS No: 125566-99-6 Catalog No: AG000NW5 MDL No:
Product Description
Catalog Number:
AG000NW5
Chemical Name:
2-Propenoic acid, 2-methyl-, 7-oxabicyclo[4.1.0]hept-3-yl ester
CAS Number:
125566-99-6
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
7-oxabicyclo[4.1.0]heptan-3-yl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H14O3/c1-6(2)10(11)12-7-3-4-8-9(5-7)13-8/h7-9H,1,3-5H2,2H3
InChI Key:
GDUZPNKSJOOIDA-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OC1CCC2C(C1)O2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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