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890095-65-5 | 5-(hydroxymethyl)-3-Isoxazolecarboxamide
CAS No: 890095-65-5 Catalog No: AG00H4AR MDL No:MFCD08273508
Product Description
Catalog Number:
AG00H4AR
Chemical Name:
5-(hydroxymethyl)-3-Isoxazolecarboxamide
CAS Number:
890095-65-5
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
MDL Number:
MFCD08273508
IUPAC Name:
5-(hydroxymethyl)-1,2-oxazole-3-carboxamide
InChI:
InChI=1S/C5H6N2O3/c6-5(9)4-1-3(2-8)10-7-4/h1,8H,2H2,(H2,6,9)
InChI Key:
CACIAMRXJXVWNS-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)C(=O)N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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