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106887-13-2 | 3-Azetidinecarboxylic acid, 1-ethyl-
CAS No: 106887-13-2 Catalog No: AG01FDAU MDL No:
Product Description
Catalog Number:
AG01FDAU
Chemical Name:
3-Azetidinecarboxylic acid, 1-ethyl-
CAS Number:
106887-13-2
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
IUPAC Name:
1-ethylazetidine-3-carboxylic acid
InChI:
InChI=1S/C6H11NO2/c1-2-7-3-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChI Key:
IQSLFTXFNOGVKK-UHFFFAOYSA-N
SMILES:
CCN1CC(C1)C(=O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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