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1158758-77-0 | 1-Azetidinecarboxylic acid, 3-amino-3-methyl-, 1,1-dimethylethyl ester
CAS No: 1158758-77-0 Catalog No: AG000H13 MDL No:MFCD12408556
Product Description
Catalog Number:
AG000H13
Chemical Name:
1-Azetidinecarboxylic acid, 3-amino-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
1158758-77-0
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD12408556
IUPAC Name:
tert-butyl 3-amino-3-methylazetidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-8(2,3)13-7(12)11-5-9(4,10)6-11/h5-6,10H2,1-4H3
InChI Key:
LDWZHGRHSCFIJE-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(C)N)OC(C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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