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81778-07-6 | 3-Isoxazolidinone,4,4-dimethyl-
CAS No: 81778-07-6 Catalog No: AG005I1Z MDL No:MFCD21333197
Product Description
Catalog Number:
AG005I1Z
Chemical Name:
3-Isoxazolidinone,4,4-dimethyl-
CAS Number:
81778-07-6
Molecular Formula:
C5H9NO2
Molecular Weight:
115.1305
MDL Number:
MFCD21333197
IUPAC Name:
4,4-dimethyl-1,2-oxazolidin-3-one
InChI:
InChI=1S/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChI Key:
UUXRXRHXOZHHJV-UHFFFAOYSA-N
SMILES:
O=C1NOCC1(C)C
EC Number:
692-895-5
Properties
Complexity:
120
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
115.132g/mol
Monoisotopic Mass:
115.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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