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Home > Nitro Compounds > 80866-88-2
80866-88-2 | (3-Methoxy-4-nitrophenyl)methanol
CAS No: 80866-88-2 Catalog No: AG0033QS MDL No:MFCD00007098
Product Description
Catalog Number:
AG0033QS
Chemical Name:
(3-Methoxy-4-nitrophenyl)methanol
CAS Number:
80866-88-2
Molecular Formula:
C8H9NO4
Molecular Weight:
183.1614
MDL Number:
MFCD00007098
IUPAC Name:
(3-methoxy-4-nitrophenyl)methanol
InChI:
InChI=1S/C8H9NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-4,10H,5H2,1H3
InChI Key:
AADYWCBPJZAJNU-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1[N+](=O)[O-]
EC Number:
279-593-5
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.163g/mol
Monoisotopic Mass:
183.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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