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1363383-31-6 | 3-Oxetanecarboxylic acid, 3-amino-, methyl ester
CAS No: 1363383-31-6 Catalog No: AG0011RL MDL No:MFCD20922764
Product Description
Catalog Number:
AG0011RL
Chemical Name:
3-Oxetanecarboxylic acid, 3-amino-, methyl ester
CAS Number:
1363383-31-6
Molecular Formula:
C5H9NO3
Molecular Weight:
131.1299
MDL Number:
MFCD20922764
IUPAC Name:
methyl 3-aminooxetane-3-carboxylate
InChI:
InChI=1S/C5H9NO3/c1-8-4(7)5(6)2-9-3-5/h2-3,6H2,1H3
InChI Key:
UPNLQRIRTAHAGA-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)COC1
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.131g/mol
Monoisotopic Mass:
131.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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