Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

CAT: 0024-sc-506798Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-506798Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

215659-03-3

Chemical Information

Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate

CAS Number	215659-03-3
PubChem CID	53396387
IUPAC Name	methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
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)[N+](=O)[O-])C(=O)OC)O

InChI

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

InChIKey

ZKUUVVYMPUDTGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 215659-03-3

CID: 53396387

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
sc-269432	Methyl 2-methoxy-5-nitrobenzoate
sc-263673	Methyl 5-methoxy-2-nitrobenzoate
sc-353920	Methyl 4- (difluoromethoxy) -5-methoxy-2-nitrobenzoate
sc-235754	Methyl 4- (acetylamino) -2-methoxy-5-nitrobenzoate
sc-353920A	Methyl 4- (difluoromethoxy) -5-methoxy-2-nitrobenzoate
sc-269430	Methyl 2-hydroxy-5-nitrobenzoate
sc-263583A	Methyl 3-methoxy-4-nitrobenzoate
sc-279399	Methyl 4-methoxy-3-nitrobenzoate
sc-263563	Methyl 3-bromo-4-hydroxy-5-nitrobenzoate
sc-263583	Methyl 3-methoxy-4-nitrobenzoate

Catalog	Name
OR54343	Methyl 5-hydroxy-4-methoxy-2-nitrobenzoate
OR40042-01	Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate
OR40286	Methyl 2-hydroxy-5-methoxy-3-nitrobenzoate
OR83633-01	Methyl 2-methoxy-4-methyl-5-nitrobenzoate
OR7411-01	Methyl 5-methoxy-2-nitrobenzoate
OR59844-01	Methyl 4-methoxy-2-nitrobenzoate
OR90115-01	Methyl 2-methoxy-4-nitrobenzoate
YDA59043-01	Methyl 4-bromo-2-methoxy-5-nitrobenzoate
OR1056592-01	Methyl 4-isopropoxy-2-methoxy-5-nitrobenzoate
PC1005366-01	Methyl 5-fluoro-2-methoxy-4-nitrobenzoate