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1262411-27-7 | 1-Azetidinecarboxylic acid, 3-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1262411-27-7 Catalog No: AG000SF0 MDL No:MFCD18375152
Product Description
Catalog Number:
AG000SF0
Chemical Name:
1-Azetidinecarboxylic acid, 3-amino-3-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1262411-27-7
Molecular Formula:
C9H18N2O3
Molecular Weight:
202.2508
MDL Number:
MFCD18375152
IUPAC Name:
tert-butyl 3-amino-3-(hydroxymethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C9H18N2O3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6,10H2,1-3H3
InChI Key:
JWVHLOXEHDYSLW-UHFFFAOYSA-N
SMILES:
OCC1(N)CN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.132g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.254g/mol
Monoisotopic Mass:
202.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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