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918343-84-7

918343-84-7 | 2-Tridecenoic acid, 4-hydroxy-7-oxo-, ethyl ester, (2E)-

CAS No: 918343-84-7 Catalog No: AG006G4D MDL No:

Product Description

Catalog Number:
AG006G4D
Chemical Name:
2-Tridecenoic acid, 4-hydroxy-7-oxo-, ethyl ester, (2E)-
CAS Number:
918343-84-7
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
ethyl 4-hydroxy-7-oxotridec-2-enoate
InChI:
InChI=1S/C15H26O4/c1-3-5-6-7-8-13(16)9-10-14(17)11-12-15(18)19-4-2/h11-12,14,17H,3-10H2,1-2H3
InChI Key:
NQIGFAYRYFHFRD-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)CCC(/C=C/C(=O)OCC)O

Properties

Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.6  

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