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20314-74-3 | 2-Butenedioic acid (2E)-, 1,4-dipentyl ester
CAS No: 20314-74-3 Catalog No: AG0028PG MDL No:
Product Description
Catalog Number:
AG0028PG
Chemical Name:
2-Butenedioic acid (2E)-, 1,4-dipentyl ester
CAS Number:
20314-74-3
Molecular Formula:
C14H24O4
Molecular Weight:
256.3380
IUPAC Name:
dipentyl (E)-but-2-enedioate
InChI:
InChI=1S/C14H24O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+
InChI Key:
NFCMRHDORQSGIS-MDZDMXLPSA-N
SMILES:
CCCCCOC(=O)/C=C/C(=O)OCCCCC
UNII:
8WQZ5X9XLM
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
256.167g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.342g/mol
Monoisotopic Mass:
256.167g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Antifungal properties of 2-bromo-3-fluorosuccinic acid esters and related compounds. | Journal of medicinal chemistry 19770401 |
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