5-hydroxy-4-methoxy-2-nitrobenzoic acid

CAT: 0024-sc-352669Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-352669Size:250 mg

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CAS Number

31839-20-0

Chemical Information

5-Hydroxy-4-methoxy-2-nitrobenzoic acid

CAS Number	31839-20-0
PubChem CID	13915669
IUPAC Name	5-hydroxy-4-methoxy-2-nitrobenzoic acid
Molecular Formula	C8H7NO6
Molecular Weight	213.14
XLogP	0.9
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	262

SMILES

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

InChI

InChI=1S/C8H7NO6/c1-15-7-3-5(9(13)14)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12)

InChIKey

VAFJDIUJDDCMHN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 31839-20-0

CID: 13915669

Formula: C8H7NO6

MW: 213.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.14
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	213.02733694
Monoisotopic Mass	213.02733694
Topological Polar Surface Area	113 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	262
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-274967	2-methoxy-5-nitrobenzoic acid
sc-254841	5-Methoxy-2-nitrobenzoic acid
sc-482472	4-Amino-2-methoxy-5-nitrobenzoic acid
sc-348324	4- (difluoromethoxy) -5-methoxy-2-nitrobenzoic acid
sc-277360	4-ethoxy-5-methoxy-2-nitrobenzoic acid
sc-278190	5-ethoxy-4-methoxy-2-nitrobenzoic acid
sc-348324A	4- (difluoromethoxy) -5-methoxy-2-nitrobenzoic acid
sc-262042	4-Methoxy-2-nitrobenzoic acid
sc-209214	2-Methoxy-4-nitrobenzoic Acid
sc-262042A	4-Methoxy-2-nitrobenzoic acid

Catalog	Name
OR400486	2-Hydroxy-4-methoxy-5-nitrobenzoic acid
OR510185	4-Hydroxy-5-methoxy-2-nitrobenzoic acid
OR54342-01	5-Hydroxy-4-methoxy-2-nitrobenzoic acid
432636-01	4-Hydroxy-3-methoxy-5-nitrobenzoic acid
AL BE 0234-01	2-hydroxy-3-methoxy-5-nitrobenzoic acid
LCA20350-01	2-Hydroxy-3-methoxy-4-nitrobenzoic acid
MCC60982-01	3-Hydroxy-2-methoxy-4-nitrobenzoic acid
418597-01	2-Methoxy-5-nitrobenzoic acid
abx182239-01	5-Methoxy-2-nitrobenzoic acid
TRC-M264830-5G	2-Methoxy-4-nitrobenzoic Acid