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159585-65-6 | 4-Oxazolidinecarboxylic acid, 2,2-dimethyl-, (4S)-
CAS No: 159585-65-6 Catalog No: AG001R6H MDL No:
Product Description
Catalog Number:
AG001R6H
Chemical Name:
4-Oxazolidinecarboxylic acid, 2,2-dimethyl-, (4S)-
CAS Number:
159585-65-6
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
(4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C6H11NO3/c1-6(2)7-4(3-10-6)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChI Key:
PPWHHAIRIFSDCP-BYPYZUCNSA-N
SMILES:
OC(=O)[C@@H]1COC(N1)(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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