(R) -Phenprocoumon

CAT: 1596-AR-P01667-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01667-02Size:25 Units

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CAS Number

5999-27-9

Synonyms

(R) -4-hydroxy-3- (1-phenylpropyl) -2H-chromen-2-one; (+) -Marcumar

Molecular Formula

C18H16O3

Molecular Weight

280.33

API Name

Phenprocoumon

Chemical Information

(R)-Phenprocoumon

CAS Number	5999-27-9
PubChem CID	54681545
IUPAC Name	4-hydroxy-3-[(1R)-1-phenylpropyl]chromen-2-one
Molecular Formula	C18H16O3
Molecular Weight	280.3
XLogP	3.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	420

SMILES

CC[C@H](C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1

InChIKey

DQDAYGNAKTZFIW-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 5999-27-9

CID: 54681545

Formula: C18H16O3

MW: 280.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.3
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	280.109944368
Monoisotopic Mass	280.109944368
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
AR-P01665-01	Phenprocoumon
AR-P01668-01	(S) -Phenprocoumon
AR-P01666-01	Phenprocoumon-d5
AR-P01670-01	Phenprocoumon Sulfate
AR-P31225-01	Phenprocoumon Impurity 1
AR-P01671-01	4'-Hydroxy Phenprocoumon
AR-P01669-01	Phenprocoumon D-Glucuronide
AR-P02420-01	(R, R, R, R) -Benzylposaconazole
AR-A02727-01	Atazanavir R, R, R, R-diastereomer
AR-O01421-01	(S, R, R, R) -Orlistat