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113791-14-3 | 2-Azetidinone, 3-amino-, (S)-, monoacetate (9CI)
CAS No: 113791-14-3 Catalog No: AG0009OV MDL No:
Product Description
Catalog Number:
AG0009OV
Chemical Name:
2-Azetidinone, 3-amino-, (S)-, monoacetate (9CI)
CAS Number:
113791-14-3
Molecular Formula:
C5H10N2O3
Molecular Weight:
146.1445
IUPAC Name:
acetic acid;(3S)-3-aminoazetidin-2-one
InChI:
InChI=1S/C3H6N2O.C2H4O2/c4-2-1-5-3(2)6;1-2(3)4/h2H,1,4H2,(H,5,6);1H3,(H,3,4)/t2-;/m0./s1
InChI Key:
GCANMCUQWOLTLB-DKWTVANSSA-N
SMILES:
N[C@H]1CNC1=O.CC(=O)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
146.146g/mol
Monoisotopic Mass:
146.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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