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141679-50-7 | 4-Isoxazolebutanoic acid, methyl ester
CAS No: 141679-50-7 Catalog No: AG001GUW MDL No:
Product Description
Catalog Number:
AG001GUW
Chemical Name:
4-Isoxazolebutanoic acid, methyl ester
CAS Number:
141679-50-7
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
IUPAC Name:
methyl 4-(1,2-oxazol-4-yl)butanoate
InChI:
InChI=1S/C8H11NO3/c1-11-8(10)4-2-3-7-5-9-12-6-7/h5-6H,2-4H2,1H3
InChI Key:
YXDTYJGWORYRBV-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1conc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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