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77790-73-9 | (3-methyl-4,5-dihydroisoxazol-5-yl)methanol
CAS No: 77790-73-9 Catalog No: AG00JC8V MDL No:MFCD01612656
Product Description
Catalog Number:
AG00JC8V
Chemical Name:
(3-methyl-4,5-dihydroisoxazol-5-yl)methanol
CAS Number:
77790-73-9
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD01612656
IUPAC Name:
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3
InChI Key:
IULDMOIFJXPJQE-UHFFFAOYSA-N
SMILES:
CC1=NOC(C1)CO
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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