Home Carbonyls 2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid

2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid

CAS No.:
1375303-94-8
Catalog Number:
AG01A30K
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
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Product Description
Catalog Number:
AG01A30K
Chemical Name:
2-{1-[(tert-butoxy)carbonyl]azetidin-3-ylidene}acetic acid
CAS Number:
1375303-94-8
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
MDL Number:
MFCD22381797
IUPAC Name:
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-ylidene]acetic acid
InChI:
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h4H,5-6H2,1-3H3,(H,12,13)
InChI Key:
WUQWIJLITMLESN-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=CC(=O)O)C1)OC(C)(C)C
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties