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214553-55-6 | (2,4-DIMETHYLOXAZOL-5-YL)METHANOL
CAS No: 214553-55-6 Catalog No: AG00C1UR MDL No:MFCD10699443
Product Description
Catalog Number:
AG00C1UR
Chemical Name:
(2,4-DIMETHYLOXAZOL-5-YL)METHANOL
CAS Number:
214553-55-6
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD10699443
IUPAC Name:
(2,4-dimethyl-1,3-oxazol-5-yl)methanol
InChI:
InChI=1S/C6H9NO2/c1-4-6(3-8)9-5(2)7-4/h8H,3H2,1-2H3
InChI Key:
BFWHIILNKOBBPE-UHFFFAOYSA-N
SMILES:
OCc1oc(nc1C)C
Properties
Complexity:
97.1
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:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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