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100367-49-5 | 4-Isoxazolemethanol, 5-methyl-
CAS No: 100367-49-5 Catalog No: AG0001QR MDL No:MFCD11865238
Product Description
Catalog Number:
AG0001QR
Chemical Name:
4-Isoxazolemethanol, 5-methyl-
CAS Number:
100367-49-5
Molecular Formula:
C5H7NO2
Molecular Weight:
113.1146
MDL Number:
MFCD11865238
IUPAC Name:
(5-methyl-1,2-oxazol-4-yl)methanol
InChI:
InChI=1S/C5H7NO2/c1-4-5(3-7)2-6-8-4/h2,7H,3H2,1H3
InChI Key:
NRKINZVWZUPBPP-UHFFFAOYSA-N
SMILES:
Cc1oncc1CO
Properties
Complexity:
76.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.048g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.116g/mol
Monoisotopic Mass:
113.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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