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72030-81-0 | Dimethyl oxazole-4,5-dicarboxylate
CAS No: 72030-81-0 Catalog No: AG00398Y MDL No:
Product Description
Catalog Number:
AG00398Y
Chemical Name:
Dimethyl oxazole-4,5-dicarboxylate
CAS Number:
72030-81-0
Molecular Formula:
C7H7NO5
Molecular Weight:
185.1342
IUPAC Name:
dimethyl 1,3-oxazole-4,5-dicarboxylate
InChI:
InChI=1S/C7H7NO5/c1-11-6(9)4-5(7(10)12-2)13-3-8-4/h3H,1-2H3
InChI Key:
LYRDBSFJJDATFO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ocnc1C(=O)OC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.135g/mol
Monoisotopic Mass:
185.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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