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19668-85-0 | 2-(3-methyl-isoxazol-5-yl)-acetic acid
CAS No: 19668-85-0 Catalog No: AG0035YP MDL No:MFCD01863539
Product Description
Catalog Number:
AG0035YP
Chemical Name:
2-(3-methyl-isoxazol-5-yl)-acetic acid
CAS Number:
19668-85-0
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD01863539
IUPAC Name:
2-(3-methyl-1,2-oxazol-5-yl)acetic acid
InChI:
InChI=1S/C6H7NO3/c1-4-2-5(10-7-4)3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChI Key:
POEFJFLAFQWOTL-UHFFFAOYSA-N
SMILES:
Cc1cc(on1)CC(=O)O
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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