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138650-24-5 | 3-Oxetanecarboxylic acid, 3-amino-
CAS No: 138650-24-5 Catalog No: AG0018YE MDL No:MFCD12547198
Product Description
Catalog Number:
AG0018YE
Chemical Name:
3-Oxetanecarboxylic acid, 3-amino-
CAS Number:
138650-24-5
Molecular Formula:
C4H7NO3
Molecular Weight:
117.1033
MDL Number:
MFCD12547198
IUPAC Name:
3-aminooxetane-3-carboxylic acid
InChI:
InChI=1S/C4H7NO3/c5-4(3(6)7)1-8-2-4/h1-2,5H2,(H,6,7)
InChI Key:
LXRNYRAHXDUNKR-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)COC1
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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