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1367269-14-4 | 3-Isoxazolecarboxylic acid, 5-nitro-, methyl ester
CAS No: 1367269-14-4 Catalog No: AG00129P MDL No:
Product Description
Catalog Number:
AG00129P
Chemical Name:
3-Isoxazolecarboxylic acid, 5-nitro-, methyl ester
CAS Number:
1367269-14-4
Molecular Formula:
C5H4N2O5
Molecular Weight:
172.0957
IUPAC Name:
methyl 5-nitro-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C5H4N2O5/c1-11-5(8)3-2-4(7(9)10)12-6-3/h2H,1H3
InChI Key:
ALZGDNKOHYRWBP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(no1)C(=O)OC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.096g/mol
Monoisotopic Mass:
172.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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