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90251-17-5 | Octanedioic acid, ethyl 2-phenyl-5-oxazolyl ester
CAS No: 90251-17-5 Catalog No: AG00H6GG MDL No:
Product Description
Catalog Number:
AG00H6GG
Chemical Name:
Octanedioic acid, ethyl 2-phenyl-5-oxazolyl ester
CAS Number:
90251-17-5
Molecular Formula:
C19H23NO5
Molecular Weight:
345.3896
IUPAC Name:
1-O-ethyl 8-O-(2-phenyl-1,3-oxazol-5-yl) octanedioate
InChI:
InChI=1S/C19H23NO5/c1-2-23-16(21)12-8-3-4-9-13-17(22)24-18-14-20-19(25-18)15-10-6-5-7-11-15/h5-7,10-11,14H,2-4,8-9,12-13H2,1H3
InChI Key:
RDCXIHFKHSBARZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)Oc1cnc(o1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.395g/mol
Monoisotopic Mass:
345.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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