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113525-87-4 | Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester
CAS No: 113525-87-4 Catalog No: AG0008WJ MDL No:MFCD18447448
Product Description
Catalog Number:
AG0008WJ
Chemical Name:
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester
CAS Number:
113525-87-4
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
MDL Number:
MFCD18447448
IUPAC Name:
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-5-6(11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)
InChI Key:
DQTVOWNRRLNDEY-UHFFFAOYSA-N
SMILES:
COC(=O)C(CNC(=O)OC(C)(C)C)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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