Products for Research Use Only
RegisterLogin

Acenocoumarol

CAT: 0024-sc-217560Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-217560Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
152-72-7

Chemical Information

Acenocoumarol

Acenocoumarol is a hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group. It has a role as an anticoagulant and an EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor. It is a C-nitro compound, a hydroxycoumarin and a methyl ketone.

CAS Number152-72-7
PubChem CID54676537
IUPAC Name4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
Molecular FormulaC19H15NO6
Molecular Weight353.3
XLogP2.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity614
SMILES
CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O
InChI
InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3
InChIKey
VABCILAOYCMVPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acenocoumarol
CAS: 152-72-7
CID: 54676537
Formula: C19H15NO6
MW: 353.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass353.08993720
Monoisotopic Mass353.08993720
Topological Polar Surface Area109 Ų
Heavy Atom Count26
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TQ0197-01Acenocoumarol
HY-B1014S-01Acenocoumarol-d5
TRC-A130802-10MGAcenocoumarol-d4
HY-121814A-01(R) -Acenocoumarol
MBS5802532(S)-Acenocoumarol
A18260-10Acenocoumarol 10mg
258700-01S-Acenocoumarol
HY-B1014RAcenocoumarol (Standard)
CS-T-46905Acenocoumarol D4

Popular Products