5-Methoxy-3-methyl-2-nitrophenol

CAT: 0127-OR1067600-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1067600-01Size:50 mg

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CAS Number

14124-36-8

MDL Number

MFCD25958887

Purity

98%

Smiles

OC1=CC(OC)=CC(C)=C1[N+]([O-])=O

Chemical Information

5-Methoxy-3-methyl-2-nitrophenol

CAS Number	14124-36-8
PubChem CID	14893493
IUPAC Name	5-methoxy-3-methyl-2-nitrophenol
Molecular Formula	C8H9NO4
Molecular Weight	183.16
XLogP	2.3
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	191

SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])O)OC

InChI

InChI=1S/C8H9NO4/c1-5-3-6(13-2)4-7(10)8(5)9(11)12/h3-4,10H,1-2H3

InChIKey

FVFILQVUFMEXBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14124-36-8

CID: 14893493

Formula: C8H9NO4

MW: 183.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.16
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	183.05315777
Monoisotopic Mass	183.05315777
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes