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10421-09-7 | 3-(Isoxazol-4-yl);propan-1-ol
CAS No: 10421-09-7 Catalog No: AG007IID MDL No:MFCD05864501
Product Description
Catalog Number:
AG007IID
Chemical Name:
3-(Isoxazol-4-yl);propan-1-ol
CAS Number:
10421-09-7
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD05864501
IUPAC Name:
3-(1,2-oxazol-4-yl)propan-1-ol
InChI:
InChI=1S/C6H9NO2/c8-3-1-2-6-4-7-9-5-6/h4-5,8H,1-3H2
InChI Key:
UAJXYTTYMXWESL-UHFFFAOYSA-N
SMILES:
OCCCc1conc1
Properties
Complexity:
77.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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