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39986-37-3 | 2,4-DIMETHYL-4-HYDROXYMETHYL-2-OXAZOLINE
CAS No: 39986-37-3 Catalog No: AG00BZ0U MDL No:
Product Description
Catalog Number:
AG00BZ0U
Chemical Name:
2,4-DIMETHYL-4-HYDROXYMETHYL-2-OXAZOLINE
CAS Number:
39986-37-3
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
(2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol
InChI:
InChI=1S/C6H11NO2/c1-5-7-6(2,3-8)4-9-5/h8H,3-4H2,1-2H3
InChI Key:
YWLSGHOSSUXBJK-UHFFFAOYSA-N
SMILES:
CC1(CO)COC(=N1)C
EC Number:
254-734-3
NSC Number:
74297
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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