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174346-82-8 | 1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 174346-82-8 Catalog No: AG001ZLQ MDL No:MFCD03790936
Product Description
Catalog Number:
AG001ZLQ
Chemical Name:
1-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
174346-82-8
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD03790936
IUPAC Name:
tert-butyl 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
InChI Key:
XIRUXUKRGUFEKC-UHFFFAOYSA-N
SMILES:
OCC1CCN1C(=O)OC(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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