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162740-03-6 | (2-isopropyl-1,3-oxazol-4-yl)methanol
CAS No: 162740-03-6 Catalog No: AG00AD2A MDL No:MFCD16556117
Product Description
Catalog Number:
AG00AD2A
Chemical Name:
(2-isopropyl-1,3-oxazol-4-yl)methanol
CAS Number:
162740-03-6
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD16556117
IUPAC Name:
(2-propan-2-yl-1,3-oxazol-4-yl)methanol
InChI:
InChI=1S/C7H11NO2/c1-5(2)7-8-6(3-9)4-10-7/h4-5,9H,3H2,1-2H3
InChI Key:
NCXGFKHNRCWGFO-UHFFFAOYSA-N
SMILES:
OCc1coc(n1)C(C)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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