4,5-Dimethoxy-2-nitrobenzoic Acid

CAT: 1596-AR-M02777-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M02777-01Size:10 Units

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CAS Number

4998-07-6

Synonyms

6-Nitro-veratric Acid

Molecular Formula

C9H9NO6

Molecular Weight

227.17

API Name

Miscellaneous

Chemical Information

4,5-Dimethoxy-2-nitrobenzoic acid

CAS Number	4998-07-6
PubChem CID	78690
IUPAC Name	4,5-dimethoxy-2-nitrobenzoic acid
Molecular Formula	C9H9NO6
Molecular Weight	227.17
XLogP	1.2
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	276

SMILES

COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)

InChIKey

WWCMFGBGMJAJRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4998-07-6

CID: 78690

Formula: C9H9NO6

MW: 227.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.17
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	227.04298701
Monoisotopic Mass	227.04298701
Topological Polar Surface Area	102 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	276
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

Catalog	Name
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AR-V05987-01	4,5-Dimethoxy-2-nitrobenzaldehyde
AR-M03004-01	4-Methyl-3-nitrobenzoic Acid
AR-B06368-01	4,5-Dimethoxy-1,2-Benzenedimethanamine
AR-B06386-01	4,5-Dimethoxy-2-methylbenzeneethanamine Hydrochloride
AR-L05992-01	2-Methyl-3-nitrobenzoic acid
AR-B06697-01	2-Chloro-6-nitrobenzoic acid
AR-M02912-01	2-Chloro-3-nitrobenzoic Acid
AR-B06741-01	3-Amino-2,4-Difluoro-6-Nitrobenzoic Acid

Catalog	Name
TRC-D460695-100G	4,5-Dimethoxy-2-nitrobenzoic Acid
FD173069-01	4,5-Dimethoxy-2-nitrobenzoic acid - Technical
RDA00448	3,4-dimethoxy-5-nitrobenzoic acid
OR1077514	2,5-Dimethoxy-3-nitrobenzoic Acid
OR94264-01	3,4-Dimethoxy-2-nitrobenzoic acid
D34656-01	2,5-Dimethoxy-3-nitrobenzoic Acid 97%
sc-266569	3-Chloro-2,6-dimethoxy-5-nitrobenzoic acid
FB67242-01	3-Bromo-2,6-dimethoxy-5-nitrobenzoic acid
B20457-01	3-Bromo-2 6-Dimethoxy-5-Nitrobenzoic Acid
FD55032-01	2,6-Dimethoxy-3-nitrobenzoic acid