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5- (Hydroxymethyl) -2-methoxy-4-nitrophenol

CAT: 0127-OR1058028-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1058028-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
187673-19-4
MDL Number
MFCD17168869
Purity
97%
Smiles
OCC1=CC(O)=C(OC)C=C1[N+]([O-])=O

Chemical Information

Benzenemethanol, 5-hydroxy-4-methoxy-2-nitro-
CAS Number187673-19-4
PubChem CID11446953
IUPAC Name5-(hydroxymethyl)-2-methoxy-4-nitrophenol
Molecular FormulaC8H9NO5
Molecular Weight199.16
XLogP0.5
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity204
SMILES
COC1=C(C=C(C(=C1)[N+](=O)[O-])CO)O
InChI
InChI=1S/C8H9NO5/c1-14-8-3-6(9(12)13)5(4-10)2-7(8)11/h2-3,10-11H,4H2,1H3
InChIKey
BREHZRPAACNKTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanol, 5-hydroxy-4-methoxy-2-nitro-
CAS: 187673-19-4
CID: 11446953
Formula: C8H9NO5
MW: 199.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.16
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass199.04807239
Monoisotopic Mass199.04807239
Topological Polar Surface Area95.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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