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92096-06-5 | Ethanone, 1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI)
CAS No: 92096-06-5 Catalog No: AG00H2D7 MDL No:MFCD16547193
Product Description
Catalog Number:
AG00H2D7
Chemical Name:
Ethanone, 1-[5-(hydroxymethyl)-3-isoxazolyl]- (9CI)
CAS Number:
92096-06-5
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD16547193
IUPAC Name:
1-[5-(hydroxymethyl)-1,2-oxazol-3-yl]ethanone
InChI:
InChI=1S/C6H7NO3/c1-4(9)6-2-5(3-8)10-7-6/h2,8H,3H2,1H3
InChI Key:
TYSIOSQTKJIFMJ-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)C(=O)C
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:
-0.5
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