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71502-42-6 | 5-Isoxazolemethanol,3-(2-methylpropyl)-(9CI)
CAS No: 71502-42-6 Catalog No: AG00FTH2 MDL No:MFCD12028405
Product Description
Catalog Number:
AG00FTH2
Chemical Name:
5-Isoxazolemethanol,3-(2-methylpropyl)-(9CI)
CAS Number:
71502-42-6
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD12028405
IUPAC Name:
[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C8H13NO2/c1-6(2)3-7-4-8(5-10)11-9-7/h4,6,10H,3,5H2,1-2H3
InChI Key:
PFZOTJPIMHFDHO-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)CC(C)C
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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