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137232-05-4 | Cyclohexanecarboxylic acid, 4-[(3-amino-2-oxo-1-azetidinyl)methyl]-
CAS No: 137232-05-4 Catalog No: AG0012Z6 MDL No:
Product Description
Catalog Number:
AG0012Z6
Chemical Name:
Cyclohexanecarboxylic acid, 4-[(3-amino-2-oxo-1-azetidinyl)methyl]-
CAS Number:
137232-05-4
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
IUPAC Name:
4-[(3-amino-2-oxoazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H18N2O3/c12-9-6-13(10(9)14)5-7-1-3-8(4-2-7)11(15)16/h7-9H,1-6,12H2,(H,15,16)
InChI Key:
BLOYBDMAKAXEEF-UHFFFAOYSA-N
SMILES:
NC1CN(C1=O)CC1CCC(CC1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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