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100188-44-1 | 2-Azetidinecarboxylic acid, 4-oxo-, methyl ester, (2S)-
CAS No: 100188-44-1 Catalog No: AG00015X MDL No:MFCD09746433
Product Description
Catalog Number:
AG00015X
Chemical Name:
2-Azetidinecarboxylic acid, 4-oxo-, methyl ester, (2S)-
CAS Number:
100188-44-1
Molecular Formula:
C5H7NO3
Molecular Weight:
129.1140
MDL Number:
MFCD09746433
IUPAC Name:
methyl (2S)-4-oxoazetidine-2-carboxylate
InChI:
InChI=1S/C5H7NO3/c1-9-5(8)3-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChI Key:
WAKVYXZJTFOVKC-VKHMYHEASA-N
SMILES:
COC(=O)[C@@H]1CC(=O)N1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.043g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.115g/mol
Monoisotopic Mass:
129.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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