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6629-85-2 | 2-Oxazolidinone,4-(hydroxymethyl)-4-methyl-
CAS No: 6629-85-2 Catalog No: AG006NK3 MDL No:MFCD00034725
Product Description
Catalog Number:
AG006NK3
Chemical Name:
2-Oxazolidinone,4-(hydroxymethyl)-4-methyl-
CAS Number:
6629-85-2
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD00034725
IUPAC Name:
4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C5H9NO3/c1-5(2-7)3-9-4(8)6-5/h7H,2-3H2,1H3,(H,6,8)
InChI Key:
JKUDHKGYEHJGQR-UHFFFAOYSA-N
SMILES:
CC1(CO)COC(=O)N1
NSC Number:
57599
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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