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1016233-08-1

1016233-08-1 | 1-Azetidinecarboxylic acid, 3,3-bis(hydroxymethyl)-, 1,1-dimethylethyl ester

CAS No: 1016233-08-1 Catalog No: AG000500 MDL No:MFCD24470652

Product Description

Catalog Number:
AG000500
Chemical Name:
1-Azetidinecarboxylic acid, 3,3-bis(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1016233-08-1
Molecular Formula:
C10H19NO4
Molecular Weight:
217.2622
MDL Number:
MFCD24470652
IUPAC Name:
tert-butyl 3,3-bis(hydroxymethyl)azetidine-1-carboxylate
InChI:
InChI=1S/C10H19NO4/c1-9(2,3)15-8(14)11-4-10(5-11,6-12)7-13/h12-13H,4-7H2,1-3H3
InChI Key:
GAXAFYOXCGGDFH-UHFFFAOYSA-N
SMILES:
OCC1(CO)CN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
217.265g/mol
Monoisotopic Mass:
217.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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