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147332-13-6 | 2,3-Azetidinedicarboxylic acid, (2R,3S)-
CAS No: 147332-13-6 Catalog No: AG001ETJ MDL No:
Product Description
Catalog Number:
AG001ETJ
Chemical Name:
2,3-Azetidinedicarboxylic acid, (2R,3S)-
CAS Number:
147332-13-6
Molecular Formula:
C5H7NO4
Molecular Weight:
145.1134
IUPAC Name:
(2R,3S)-azetidine-2,3-dicarboxylic acid
InChI:
InChI=1S/C5H7NO4/c7-4(8)2-1-6-3(2)5(9)10/h2-3,6H,1H2,(H,7,8)(H,9,10)/t2-,3+/m0/s1
InChI Key:
BLLPFMQOLSYTBX-STHAYSLISA-N
SMILES:
OC(=O)[C@@H]1NC[C@@H]1C(=O)O
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
145.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
145.114g/mol
Monoisotopic Mass:
145.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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