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141890-67-7 | 1-Azetidinecarboxylic acid, 3-hydroxy-, (4-nitrophenyl)methyl ester
CAS No: 141890-67-7 Catalog No: AG001HBE MDL No:
Product Description
Catalog Number:
AG001HBE
Chemical Name:
1-Azetidinecarboxylic acid, 3-hydroxy-, (4-nitrophenyl)methyl ester
CAS Number:
141890-67-7
Molecular Formula:
C11H12N2O5
Molecular Weight:
252.2234
IUPAC Name:
(4-nitrophenyl)methyl 3-hydroxyazetidine-1-carboxylate
InChI:
InChI=1S/C11H12N2O5/c14-10-5-12(6-10)11(15)18-7-8-1-3-9(4-2-8)13(16)17/h1-4,10,14H,5-7H2
InChI Key:
TZHSSEQNKOCWJJ-UHFFFAOYSA-N
SMILES:
OC1CN(C1)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.226g/mol
Monoisotopic Mass:
252.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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