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13877-83-3 | Butanedioic acid, 2-(2-dodecen-1-yl)-
CAS No: 13877-83-3 Catalog No: AG0019J8 MDL No:
Product Description
Catalog Number:
AG0019J8
Chemical Name:
Butanedioic acid, 2-(2-dodecen-1-yl)-
CAS Number:
13877-83-3
Molecular Formula:
C16H28O4
Molecular Weight:
284.3911
IUPAC Name:
2-[(E)-dodec-2-enyl]butanedioic acid
InChI:
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)/b11-10+
InChI Key:
VAHSVKWHLFZJMH-ZHACJKMWSA-N
SMILES:
CCCCCCCCCC=CCC(C(=O)O)CC(=O)O
EC Number:
237-640-7
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
284.199g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.396g/mol
Monoisotopic Mass:
284.199g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Cyclic acid anhydrides as a new class of potent, selective and non-peptidic inhibitors of geranylgeranyl transferase. | Bioorganic & medicinal chemistry letters 20020121 |
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