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102790-36-3

102790-36-3 | Isoxazol-4-ylmethanol

CAS No: 102790-36-3 Catalog No: AG003833 MDL No:MFCD06738912

Product Description

Catalog Number:
AG003833
Chemical Name:
Isoxazol-4-ylmethanol
CAS Number:
102790-36-3
Molecular Formula:
C4H5NO2
Molecular Weight:
99.0880
MDL Number:
MFCD06738912
IUPAC Name:
1,2-oxazol-4-ylmethanol
InChI:
InChI=1S/C4H5NO2/c6-2-4-1-5-7-3-4/h1,3,6H,2H2
InChI Key:
YUXAURUEOIQGKA-UHFFFAOYSA-N
SMILES:
OCc1conc1

Properties

Complexity:
57.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.032g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
99.089g/mol
Monoisotopic Mass:
99.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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