(E) -4- (2-nitrovinyl) benzene-1,2-diol

CAT: 1596-AR-D02250-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02250-01Size:10 Units

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CAS Number

108074-44-8

Synonyms

(E) -4- (2-nitrovinyl) benzene-1,2-diol

Molecular Formula

C8H7NO4

Molecular Weight

181.15

API Name

Dopa

Chemical Information

1,2-Dihydroxy-4-(nitroethenyl)benzene

4-[(1E)-2-nitroethenyl]benzene-1,2-diol has been reported in Streptomyces lavendulae with data available.

CAS Number	108074-44-8
PubChem CID	6439158
IUPAC Name	4-[(E)-2-nitroethenyl]benzene-1,2-diol
Molecular Formula	C8H7NO4
Molecular Weight	181.15
XLogP	1.5
Topological Polar Surface Area	86.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	211

SMILES

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

InChI

InChI=1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+

InChIKey

LLJASJHXECDHOM-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 108074-44-8

CID: 6439158

Formula: C8H7NO4

MW: 181.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.15
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	181.03750770
Monoisotopic Mass	181.03750770
Topological Polar Surface Area	86.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211
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
AR-D02253-01	(E) -1,2-dimethoxy-3- (2-nitrovinyl) benzene
AR-D02251-01	1,2-dimethoxy-4- (2-nitrovinyl) benzene
AR-D02252-01	(E) -2-Methoxy-4- (2-nitrovinyl) phenol
AR-B06348-01	4- (Hydrazinylmethyl) Benzene-1,2-Diol
AR-H01169-01	2- (2, 5-Dihydroxyphenyl) benzene-1, 4-Diol
AR-E01555-01	4- (2-amino-1-hydroxyethyl) benzene-1,2-diol
AR-E01553-01	4- (2-chloro-1-hydroxyethyl) benzene-1,2-diol
AR-E01556-01	4- (2-amino-1-methoxyethyl) benzene-1,2-diol
AR-H01196-01	2- (2- (4-isopropylphenyl) propan-2-yl) benzene-1,4-diol
AR-E01554-01	4- (1-hydroxy-2- (methylamino) ethyl) benzene-1,2-diol

Catalog	Name
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OR28549	1,2-dimethoxy-3- (2-nitrovinyl) benzene
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OR1029688-01	(E) -1-Chloro-2- (2-Nitrovinyl) Benzene
OR1009258-01	1,4-Dimethoxy-2- (2-Nitrovinyl) Benzene
TRC-M339698-1G	1-Methoxy-4-(2-nitrovinyl)benzene
OR24581-01	1-bromo-4- (2-nitrovinyl) benzene
OR28396	1-methyl-4- (2-nitrovinyl) benzene