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887596-02-3 | 3-Azetidinecarboxylicacid, 1-(3-nitrophenyl)-, methyl ester
CAS No: 887596-02-3 Catalog No: AG004D0K MDL No:
Product Description
Catalog Number:
AG004D0K
Chemical Name:
3-Azetidinecarboxylicacid, 1-(3-nitrophenyl)-, methyl ester
CAS Number:
887596-02-3
Molecular Formula:
C11H12N2O4
Molecular Weight:
236.2240
IUPAC Name:
methyl 1-(3-nitrophenyl)azetidine-3-carboxylate
InChI:
InChI=1S/C11H12N2O4/c1-17-11(14)8-6-12(7-8)9-3-2-4-10(5-9)13(15)16/h2-5,8H,6-7H2,1H3
InChI Key:
PXRGKYXXGIETHW-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.227g/mol
Monoisotopic Mass:
236.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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