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Home > Other Heterocycles > 817172-07-9
817172-07-9 | 2-Propenoic acid, 2-methyl-, 2-oxo-1-oxaspiro[4.5]dec-8-yl ester
CAS No: 817172-07-9 Catalog No: AG0057TD MDL No:
Product Description
Catalog Number:
AG0057TD
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-oxo-1-oxaspiro[4.5]dec-8-yl ester
CAS Number:
817172-07-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
(2-oxo-1-oxaspiro[4.5]decan-8-yl) 2-methylprop-2-enoate
InChI:
InChI=1S/C13H18O4/c1-9(2)12(15)16-10-3-6-13(7-4-10)8-5-11(14)17-13/h10H,1,3-8H2,2H3
InChI Key:
FDNMRJJGEKDDRN-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OC1CCC2(CC1)CCC(=O)O2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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