Chromonar Hydrochloride

CAT: 0024-sc-394450CSize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-394450CSize:1 g

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CAS Number

655-35-6

Chemical Information

Chromonar Hydrochloride

Carbocromen hydrochloride is a member of coumarins.

CAS Number	655-35-6
PubChem CID	9800972
IUPAC Name	ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate;hydrochloride
Molecular Formula	C20H28ClNO5
Molecular Weight	397.9
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	27
Formal Charge	0
Complexity	526

SMILES

CCN(CC)CCC1=C(C2=C(C=C(C=C2)OCC(=O)OCC)OC1=O)C.Cl

InChI

InChI=1S/C20H27NO5.ClH/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3;/h8-9,12H,5-7,10-11,13H2,1-4H3;1H

InChIKey

KSQIAZKOUOEHSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 655-35-6

CID: 9800972

Formula: C20H28ClNO5

MW: 397.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	397.1656007
Monoisotopic Mass	397.1656007
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	526
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	2
Compound Is Canonicalized	Yes

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