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1262412-13-4 | 1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester
CAS No: 1262412-13-4 Catalog No: AG000SEY MDL No:MFCD18375110
Product Description
Catalog Number:
AG000SEY
Chemical Name:
1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) ester
CAS Number:
1262412-13-4
Molecular Formula:
C9H15N2O4-
Molecular Weight:
215.2264
MDL Number:
MFCD18375110
IUPAC Name:
3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
InChI:
InChI=1S/C9H16N2O4/c1-8(2,3)15-7(14)11-4-9(10,5-11)6(12)13/h4-5,10H2,1-3H3,(H,12,13)
InChI Key:
XQGUPRXBCKPKJE-UHFFFAOYSA-N
SMILES:
O=C(N1CC(C1)(N)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.237g/mol
Monoisotopic Mass:
216.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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