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161511-90-6 | 1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)-
CAS No: 161511-90-6 Catalog No: AG001VN2 MDL No:MFCD03790937
Product Description
Catalog Number:
AG001VN2
Chemical Name:
1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
161511-90-6
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD03790937
IUPAC Name:
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h7,11H,4-6H2,1-3H3/t7-/m1/s1
InChI Key:
XIRUXUKRGUFEKC-SSDOTTSWSA-N
SMILES:
OC[C@H]1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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