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100-27-6 | Benzeneethanol, 4-nitro-
CAS No: 100-27-6 Catalog No: AG00006O MDL No:MFCD00010202
Product Description
Catalog Number:
AG00006O
Chemical Name:
Benzeneethanol, 4-nitro-
CAS Number:
100-27-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00010202
IUPAC Name:
2-(4-nitrophenyl)ethanol
InChI:
InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2
InChI Key:
IKMXRUOZUUKSON-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-835-8
NSC Number:
55519
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Nucleosides. LXV. Synthesis of new pteridine-N8-nucleosides. | Nucleosides, nucleotides & nucleic acids 20040101 |
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