3-CPs

CAT: 0127-BUP03735-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03735-05Size:100 mg

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CAS Number

20073-24-9

Synonyms

3-Carbethoxypsoralen, 3-Ethoxycarbonylpsoralen

Purity

=95%

Smiles

O=C1OC=2C=C3OC=CC3=CC2C=C1C(=O)OCC

Chemical Information

Ethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate

3-(ethoxycarbonyl)psoralen is an ethyl ester and a member of psoralens.

CAS Number	20073-24-9
PubChem CID	62739
IUPAC Name	ethyl 7-oxofuro[3,2-g]chromene-6-carboxylate
Molecular Formula	C14H10O5
Molecular Weight	258.23
XLogP	2.7
Topological Polar Surface Area	65.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	428

SMILES

CCOC(=O)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O

InChI

InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3

InChIKey

CFQAMEDTKHNQTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20073-24-9

CID: 62739

Formula: C14H10O5

MW: 258.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	258.05282342
Monoisotopic Mass	258.05282342
Topological Polar Surface Area	65.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	428
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
BUP07289-01	CPS-11
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
PC450524-01	3,3,3-Trifluoropropoxytriethylsilane

Catalog	Name
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GTR19263545-01	CPS-021
GTR17964827	Cps-6 Antibody
TRV-025624-01	Monoclonal Antibody to Capsaicin (CPS)
72243-01	Silicone Oil 100 CPS
154605	Methyl Cellulose 4000 cPs
SGN58401	Capsaicin/CPS, BSA conjugated
GU8920-25g	Chitosan hydrochloride (10 - 120 cps)
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