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6280-99-5 | Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CAS No: 6280-99-5 Catalog No: AG001QRJ MDL No:MFCD00059251
Product Description
Catalog Number:
AG001QRJ
Chemical Name:
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
CAS Number:
6280-99-5
Molecular Formula:
C12H22O5
Molecular Weight:
246.3001
MDL Number:
MFCD00059251
IUPAC Name:
dibutyl 2-hydroxybutanedioate
InChI:
InChI=1S/C12H22O5/c1-3-5-7-16-11(14)9-10(13)12(15)17-8-6-4-2/h10,13H,3-9H2,1-2H3
InChI Key:
PDSCSYLDRHAHOX-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC(C(=O)OCCCC)O
EC Number:
228-485-6
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.303g/mol
Monoisotopic Mass:
246.147g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Tamarindus indica: Extent of explored potential. | Pharmacognosy reviews 20110101 |
| Spasmolytic Activity of Fruits of Tamarindus indica L. | Journal of young pharmacists : JYP 20100101 |
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