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18214-78-3 | Spiro[5.5]undecane-3,3-dicarboxylic acid
CAS No: 18214-78-3 Catalog No: AG0023FE MDL No:
Product Description
Catalog Number:
AG0023FE
Chemical Name:
Spiro[5.5]undecane-3,3-dicarboxylic acid
CAS Number:
18214-78-3
Molecular Formula:
C13H20O4
Molecular Weight:
240.2955
IUPAC Name:
spiro[5.5]undecane-3,3-dicarboxylic acid
InChI:
InChI=1S/C13H20O4/c14-10(15)13(11(16)17)8-6-12(7-9-13)4-2-1-3-5-12/h1-9H2,(H,14,15)(H,16,17)
InChI Key:
KLTKZNIAIUVCON-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC2(CC1)CCCCC2)C(=O)O
NSC Number:
211496
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.299g/mol
Monoisotopic Mass:
240.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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