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17825-67-1 | 2-Cyclopropen-1-ol, 2,3-diphenyl-, 1-(4-nitrobenzoate)
CAS No: 17825-67-1 Catalog No: AG0025VA MDL No:
Product Description
Catalog Number:
AG0025VA
Chemical Name:
2-Cyclopropen-1-ol, 2,3-diphenyl-, 1-(4-nitrobenzoate)
CAS Number:
17825-67-1
Molecular Formula:
C22H15NO4
Molecular Weight:
357.3588
IUPAC Name:
(2,3-diphenylcycloprop-2-en-1-yl) 4-nitrobenzoate
InChI:
InChI=1S/C22H15NO4/c24-22(17-11-13-18(14-12-17)23(25)26)27-21-19(15-7-3-1-4-8-15)20(21)16-9-5-2-6-10-16/h1-14,21H
InChI Key:
QFVHYRHMAAOIST-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])OC1C(=C1c1ccccc1)c1ccccc1
NSC Number:
117620
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.1g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.365g/mol
Monoisotopic Mass:
357.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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