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Home > Other Heterocycles > 501427-38-9
501427-38-9 | 2-Propenoic acid, 2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethoxy]ethyl ester
CAS No: 501427-38-9 Catalog No: AG006VUF MDL No:
Product Description
Catalog Number:
AG006VUF
Chemical Name:
2-Propenoic acid, 2-[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethoxy]ethyl ester
CAS Number:
501427-38-9
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
2-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethoxy]ethyl prop-2-enoate
InChI:
InChI=1S/C13H20O4/c1-2-13(14)16-8-7-15-6-5-10-3-4-11-12(9-10)17-11/h2,10-12H,1,3-9H2
InChI Key:
IIKKFNIVSUQHEC-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCOCCC1CCC2C(C1)O2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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