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89149-92-8 | Propanedioic acid, [(2-methyl-4-phenyl-5-oxazolyl)methyl]-, diethyl ester
CAS No: 89149-92-8 Catalog No: AG0075RS MDL No:
Product Description
Catalog Number:
AG0075RS
Chemical Name:
Propanedioic acid, [(2-methyl-4-phenyl-5-oxazolyl)methyl]-, diethyl ester
CAS Number:
89149-92-8
Molecular Formula:
C18H21NO5
Molecular Weight:
331.3630
IUPAC Name:
diethyl 2-[(2-methyl-4-phenyl-1,3-oxazol-5-yl)methyl]propanedioate
InChI:
InChI=1S/C18H21NO5/c1-4-22-17(20)14(18(21)23-5-2)11-15-16(19-12(3)24-15)13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3
InChI Key:
ZFNFNRCUMGVNOY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1oc(nc1c1ccccc1)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.368g/mol
Monoisotopic Mass:
331.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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