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Home > Nitro Compounds > 824431-49-4
824431-49-4 | 4-Penten-1-ol, 5-(4-nitrophenyl)-, (4E)-
CAS No: 824431-49-4 Catalog No: AG0050QJ MDL No:
Product Description
Catalog Number:
AG0050QJ
Chemical Name:
4-Penten-1-ol, 5-(4-nitrophenyl)-, (4E)-
CAS Number:
824431-49-4
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
5-(4-nitrophenyl)pent-4-en-1-ol
InChI:
InChI=1S/C11H13NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h2,4-8,13H,1,3,9H2
InChI Key:
UBFKXJALWKIYSQ-UHFFFAOYSA-N
SMILES:
OCCC/C=C/c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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