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1159736-25-0 | 3-Oxetanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 1159736-25-0 Catalog No: AG000H8T MDL No:MFCD17215905
Product Description
Catalog Number:
AG000H8T
Chemical Name:
3-Oxetanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
1159736-25-0
Molecular Formula:
C9H15NO5
Molecular Weight:
217.2191
MDL Number:
MFCD17215905
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetane-3-carboxylic acid
InChI:
InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-9(6(11)12)4-14-5-9/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
IIINBAWOESLQTR-UHFFFAOYSA-N
SMILES:
O=C(NC1(COC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.221g/mol
Monoisotopic Mass:
217.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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