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835597-74-5 | Spiro[5.5]undec-2-ene-2-carboxylic acid, 3-methyl-1-oxo-, ethyl ester
CAS No: 835597-74-5 Catalog No: AG004UP6 MDL No:
Product Description
Catalog Number:
AG004UP6
Chemical Name:
Spiro[5.5]undec-2-ene-2-carboxylic acid, 3-methyl-1-oxo-, ethyl ester
CAS Number:
835597-74-5
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
ethyl 3-methyl-5-oxospiro[5.5]undec-3-ene-4-carboxylate
InChI:
InChI=1S/C15H22O3/c1-3-18-14(17)12-11(2)7-10-15(13(12)16)8-5-4-6-9-15/h3-10H2,1-2H3
InChI Key:
XUHRJZLFKKEFIR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)CCC2(C1=O)CCCCC2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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