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Home > Nitro Compounds > 165254-72-8
165254-72-8 | Phenol, 2-methoxy-5-[2-(4-nitrophenyl)ethenyl]-
CAS No: 165254-72-8 Catalog No: AG001W0O MDL No:
Product Description
Catalog Number:
AG001W0O
Chemical Name:
Phenol, 2-methoxy-5-[2-(4-nitrophenyl)ethenyl]-
CAS Number:
165254-72-8
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
2-methoxy-5-[2-(4-nitrophenyl)ethenyl]phenol
InChI:
InChI=1S/C15H13NO4/c1-20-15-9-6-12(10-14(15)17)3-2-11-4-7-13(8-5-11)16(18)19/h2-10,17H,1H3
InChI Key:
KRQAQSQBACXPKQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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