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88579-86-6 | Acetic acid, [4-(acetyloxy)spiro[4.5]dec-1-ylidene]-, methyl ester
CAS No: 88579-86-6 Catalog No: AG004BDH MDL No:
Product Description
Catalog Number:
AG004BDH
Chemical Name:
Acetic acid, [4-(acetyloxy)spiro[4.5]dec-1-ylidene]-, methyl ester
CAS Number:
88579-86-6
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
methyl 2-(1-acetyloxyspiro[4.5]decan-4-ylidene)acetate
InChI:
InChI=1S/C15H22O4/c1-11(16)19-13-7-6-12(10-14(17)18-2)15(13)8-4-3-5-9-15/h10,13H,3-9H2,1-2H3
InChI Key:
PLSUWAMGGYQZQL-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1CCC(C21CCCCC2)OC(=O)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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