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1287217-65-5 | Ethyl 1-(4-Nitrobenzoyl)cyclopropanecarboxylate
CAS No: 1287217-65-5 Catalog No: AG01F9SR MDL No:
Product Description
Catalog Number:
AG01F9SR
Chemical Name:
Ethyl 1-(4-Nitrobenzoyl)cyclopropanecarboxylate
CAS Number:
1287217-65-5
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
IUPAC Name:
ethyl 1-(4-nitrobenzoyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C13H13NO5/c1-2-19-12(16)13(7-8-13)11(15)9-3-5-10(6-4-9)14(17)18/h3-6H,2,7-8H2,1H3
InChI Key:
CMTWFSPPANTUHY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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