2-methoxy-6- (2-nitrovinyl) phenol

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CAS Number

141849-32-3

MDL Number

MFCD00118400

Smiles

COc1cccc (\C=C\[N+] (=O) [O-]) c1O

Chemical Information

2-Methoxy-6-(2-nitroethenyl)phenol

CAS Number	141849-32-3
PubChem CID	5355251
IUPAC Name	2-methoxy-6-[(E)-2-nitroethenyl]phenol
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	1.8
Topological Polar Surface Area	75.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	223

SMILES

COC1=CC=CC(=C1O)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4/c1-14-8-4-2-3-7(9(8)11)5-6-10(12)13/h2-6,11H,1H3/b6-5+

InChIKey

VZXBWZSEGHDECZ-AATRIKPKSA-N

Chemical Structure

2D Structure

CAS: 141849-32-3

CID: 5355251

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	75.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1010521-01	2-Methoxy-5- (2-Nitrovinyl) Phenol
OR26919-01	2-Methoxy-4-[ (E) -2-nitrovinyl]phenol
PC1009092-01	2-Methoxy-6- (trifluoromethyl) phenol
OR1092198-01	2-Methoxy-6- (methylthio) phenol
OR28516-01	1-methoxy-3- (2-nitrovinyl) benzene
OR1057995-01	1- (Benzyloxy) -2-methoxy-4- (2-nitrovinyl) benzene
OR28406	4-bromo-1-methoxy-2- (2-nitrovinyl) benzene
PC1013124-01	2-Methoxy-4,6-bis (trifluoromethyl) phenol
OR97480-01	2-Bromo-6-methoxy-4-nitro-phenol
PC1017205-01	6-fluoro-3-methoxy-2- (methylthio) phenol

Catalog	Name
AR-D02249-01	2-Methoxy-5- (2-nitrovinyl) phenol
AR-D02252-01	(E) -2-Methoxy-4- (2-nitrovinyl) phenol
CS-T-102417	(E) -5-Methoxy-3- (methoxymethoxy) -2- (2-nitrovinyl) phenol-D3
TRC-M569056-50MG	(E)-5-Methoxy-3-(methoxymethoxy)-2-(2-nitrovinyl)phenol-D3
sc-492883	2-methoxy-6-{[ (2-methylphenyl) amino]methyl}phenol
sc-492836	2-methoxy-6-{[ (2-methoxyphenyl) amino]methyl}phenol
UHA29406-01	2-[ (2-Fluorophenyl) methoxy]phenol
sc-494854	2-methoxy-6-[ (E) - (phenylimino) methyl]phenol
sc-494930	2-methoxy-6-{ (E) -[ (2-methylphenyl) imino]methyl}phenol
sc-491702	2-methoxy-6-{ (E) -[ (2-methoxyphenyl) imino]methyl}phenol