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855262-49-6 | Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 1-methyl-4-(1-methylethyl)-
CAS No: 855262-49-6 Catalog No: AG004USP MDL No:
Product Description
Catalog Number:
AG004USP
Chemical Name:
Bicyclo[2.2.2]octane-2,3-dicarboxylic acid, 1-methyl-4-(1-methylethyl)-
CAS Number:
855262-49-6
Molecular Formula:
C14H22O4
Molecular Weight:
254.3221
IUPAC Name:
1-methyl-4-propan-2-ylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
InChI:
InChI=1S/C14H22O4/c1-8(2)14-6-4-13(3,5-7-14)9(11(15)16)10(14)12(17)18/h8-10H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChI Key:
ZFLXNODKPZNPNH-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)C2(C)CCC1(CC2)C(C)C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.326g/mol
Monoisotopic Mass:
254.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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