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477858-68-7 | 1,4-dimethyl 2-(1,2-oxazol-5-yl)butanedioate
CAS No: 477858-68-7 Catalog No: AG00IWAN MDL No:MFCD02082695
Product Description
Catalog Number:
AG00IWAN
Chemical Name:
1,4-dimethyl 2-(1,2-oxazol-5-yl)butanedioate
CAS Number:
477858-68-7
Molecular Formula:
C9H11NO5
Molecular Weight:
213.1873
MDL Number:
MFCD02082695
IUPAC Name:
dimethyl 2-(1,2-oxazol-5-yl)butanedioate
InChI:
InChI=1S/C9H11NO5/c1-13-8(11)5-6(9(12)14-2)7-3-4-10-15-7/h3-4,6H,5H2,1-2H3
InChI Key:
KXCVSZUKZLXGCQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1ccno1)C(=O)OC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.189g/mol
Monoisotopic Mass:
213.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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