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121604-45-3 | (3-cyclopropyl-5-isoxazolyl)methanol
CAS No: 121604-45-3 Catalog No: AG009DR6 MDL No:MFCD16556130
Product Description
Catalog Number:
AG009DR6
Chemical Name:
(3-cyclopropyl-5-isoxazolyl)methanol
CAS Number:
121604-45-3
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD16556130
IUPAC Name:
(3-cyclopropyl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C7H9NO2/c9-4-6-3-7(8-10-6)5-1-2-5/h3,5,9H,1-2,4H2
InChI Key:
JSAGCRJDUAYEFD-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)C1CC1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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