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Home > Nitro Compounds > 80756-78-1
80756-78-1 | 2-Azetidinone, 3-acetyl-1-[(4-nitrophenyl)methyl]-
CAS No: 80756-78-1 Catalog No: AG0058BA MDL No:
Product Description
Catalog Number:
AG0058BA
Chemical Name:
2-Azetidinone, 3-acetyl-1-[(4-nitrophenyl)methyl]-
CAS Number:
80756-78-1
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
3-acetyl-1-[(4-nitrophenyl)methyl]azetidin-2-one
InChI:
InChI=1S/C12H12N2O4/c1-8(15)11-7-13(12(11)16)6-9-2-4-10(5-3-9)14(17)18/h2-5,11H,6-7H2,1H3
InChI Key:
YXHDTSOLNDKABE-UHFFFAOYSA-N
SMILES:
CC(=O)C1CN(C1=O)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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