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1262141-51-4 | Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-
CAS No: 1262141-51-4 Catalog No: AG000SCJ MDL No:MFCD18426501
Product Description
Catalog Number:
AG000SCJ
Chemical Name:
Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-
CAS Number:
1262141-51-4
Molecular Formula:
C10H17NO5
Molecular Weight:
231.2457
MDL Number:
MFCD18426501
IUPAC Name:
3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
InChI:
InChI=1S/C10H17NO5/c1-9(2,3)16-8(15)11-10(7(13)14)4-6(12)5-10/h6,12H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChI Key:
HGZHBZBOYAISMT-UHFFFAOYSA-N
SMILES:
OC1CC(C1)(NC(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.248g/mol
Monoisotopic Mass:
231.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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