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132603-09-9 | Spiro[4.5]dec-6-ene-6-carboxylic acid, 10-methyl-
CAS No: 132603-09-9 Catalog No: AG0010WA MDL No:
Product Description
Catalog Number:
AG0010WA
Chemical Name:
Spiro[4.5]dec-6-ene-6-carboxylic acid, 10-methyl-
CAS Number:
132603-09-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
6-methylspiro[4.5]dec-9-ene-10-carboxylic acid
InChI:
InChI=1S/C12H18O2/c1-9-5-4-6-10(11(13)14)12(9)7-2-3-8-12/h6,9H,2-5,7-8H2,1H3,(H,13,14)
InChI Key:
HOZCHTFDGMSKNK-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CCCC(C21CCCC2)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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