4-hydroxy-3-nitrochromen-2-one

CAT: 1731-AK HB 0029-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AK HB 0029-01Size:1 mg

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CAS Number

20261-31-8

MDL Number

MFCD00051671

Purity

0.95

Smiles

O=c1oc2ccccc2c (O) c1[N+] (=O) [O-]

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

4-Hydroxy-3-nitrocoumarin

CAS Number	20261-31-8
PubChem CID	54682640
IUPAC Name	4-hydroxy-3-nitrochromen-2-one
Molecular Formula	C9H5NO5
Molecular Weight	207.14
XLogP	1.4
Topological Polar Surface Area	92.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	343

SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])O

InChI

InChI=1S/C9H5NO5/c11-8-5-3-1-2-4-6(5)15-9(12)7(8)10(13)14/h1-4,11H

InChIKey

NZQAQAUWFHMVEM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20261-31-8

CID: 54682640

Formula: C9H5NO5

MW: 207.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.14
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	207.01677226
Monoisotopic Mass	207.01677226
Topological Polar Surface Area	92.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	343
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
BW GA 0355-01	2- (2,4-dimethoxyphenyl) -6-nitrochromen-4-one
BW GA 0356-01	2- (2-hydroxy-5-nitrophenyl) chromen-4-one
AL BO 0530-01	3-hydroxy-2,2,4-trimethylpentanoic acid
BW GA 0274-01	2-[3,4-bis (2-hydroxyethoxy) phenyl]-5-hydroxy-7- (2-hydroxyethoxy) -3-propoxychromen-4-one
AS IA 0004-01	4-hydroxy-2-oxochromene-3-carbaldehyde
FH RA 0019-01	(NE, Z) -N-[ (2-hydroxy-3-methoxyphenyl) methylidene]benzenecarbohydrazonic acid;3-hydroxy-2-phenylchromen-4-one; oxovanadium
FH RA 0022-01	1-[ (2-hydroxy-3-methoxyphenyl) methylideneamino]cyclohexane-1-carboxylic acid;3-hydroxy-2-phenylchromen-4-one; oxovanadium
FH RA 0016-01	(NE, Z) -N-[ (2-hydroxy-3-methoxyphenyl) methylidene]benzenecarbohydrazonic acid;3-hydroxy-2-methylpyran-4-one; oxovanadium
AQ C5 0001-01	2-hydroxy-3-methylcyclopent-2-en-1-one
AQ BC 8A08-01	4-hydroxy-1-methylbicyclo[2.2.2]octan-2-one

Catalog	Name
TRC-A622803-100MG	6-Amino-5-nitrochromen-2-one
VCA00638-01	3-hydroxy-4,4-dimethylpyrrolidin-2-one
OR1026640-01	3-Hydroxy-2-Phenylchroman-4-One
TRC-B444140-500MG	4-Hydroxy-3,3-dimethylbutan-2-one
EAA89974-01	1-Hydroxy-3- (4-hydroxy-3-methoxyphenyl) propan-2-one
OR927851-01	4- (4-Hydroxy-3-methoxyphenyl) -3-buten-2-one
OR21254	3-hydroxy-2-phenyl-3,4-dihydroquinazolin-4-one
EAA91659-01	3-Hydroxy-2,2,4,4-tetramethylcyclobutan-1-one
CDA33412-01	4- (3-Hydroxy-4-methoxyphenyl) butan-2-one
TRC-H282880-2.5G	4-Hydroxy-3-(4-methylpentanoyl)chromen-2-one