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16880-23-2 | 5-Isoxazolepropanoic acid, 3-methoxy-, methyl ester
CAS No: 16880-23-2 Catalog No: AG001YAQ MDL No:MFCD12027066
Product Description
Catalog Number:
AG001YAQ
Chemical Name:
5-Isoxazolepropanoic acid, 3-methoxy-, methyl ester
CAS Number:
16880-23-2
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
MDL Number:
MFCD12027066
IUPAC Name:
methyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
InChI:
InChI=1S/C8H11NO4/c1-11-7-5-6(13-9-7)3-4-8(10)12-2/h5H,3-4H2,1-2H3
InChI Key:
HHLDOLOHISCNGM-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1onc(c1)OC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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