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45521-08-2 | (S)-Oxazolidine-4-carboxylic acid
CAS No: 45521-08-2 Catalog No: AG003CO6 MDL No:
Product Description
Catalog Number:
AG003CO6
Chemical Name:
(S)-Oxazolidine-4-carboxylic acid
CAS Number:
45521-08-2
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
IUPAC Name:
(4S)-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C4H7NO3/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChI Key:
XFZIPCXDWCWTCH-VKHMYHEASA-N
SMILES:
OC(=O)[C@@H]1COCN1
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
117.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
117.104g/mol
Monoisotopic Mass:
117.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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