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79678-14-1 | 1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, methyl ester
CAS No: 79678-14-1 Catalog No: AG005INJ MDL No:
Product Description
Catalog Number:
AG005INJ
Chemical Name:
1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, methyl ester
CAS Number:
79678-14-1
Molecular Formula:
C10H14O4
Molecular Weight:
198.2158
IUPAC Name:
methyl 1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
InChI:
InChI=1S/C10H14O4/c1-12-9(11)8-3-2-4-10(7-8)13-5-6-14-10/h3H,2,4-7H2,1H3
InChI Key:
CRYXQHCUGAVJAT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCC2(C1)OCCO2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.089g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.218g/mol
Monoisotopic Mass:
198.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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