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19806-12-3 | Butanedioic acid, 2,3-bis(phenylmethylene)-
CAS No: 19806-12-3 Catalog No: AG002B9V MDL No:
Product Description
Catalog Number:
AG002B9V
Chemical Name:
Butanedioic acid, 2,3-bis(phenylmethylene)-
CAS Number:
19806-12-3
Molecular Formula:
C18H14O4
Molecular Weight:
294.3014
IUPAC Name:
2,3-dibenzylidenebutanedioic acid
InChI:
InChI=1S/C18H14O4/c19-17(20)15(11-13-7-3-1-4-8-13)16(18(21)22)12-14-9-5-2-6-10-14/h1-12H,(H,19,20)(H,21,22)
InChI Key:
YRCUGKQNIYGAON-UHFFFAOYSA-N
SMILES:
OC(=O)C(=Cc1ccccc1)C(=Cc1ccccc1)C(=O)O
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.306g/mol
Monoisotopic Mass:
294.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Structure-based design of novel boronic acid-based inhibitors of autotaxin. | Journal of medicinal chemistry 20110714 |
| A short asymmetric synthesis of (+)-lyoniresinol dimethyl ether. | The Journal of organic chemistry 20040611 |
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