Edulitine

CAT: 1596-AR-E09406-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E09406-02Size:25 Units

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CAS Number

15272-24-9

Molecular Formula

C11H11NO3

Molecular Weight

205.21

API Name

Edulitine

Chemical Information

Edulitine

Edulitine is a member of quinolines.

CAS Number	15272-24-9
PubChem CID	826073
IUPAC Name	4,8-dimethoxy-1H-quinolin-2-one
Molecular Formula	C11H11NO3
Molecular Weight	205.21
XLogP	1
Topological Polar Surface Area	47.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	288

SMILES

COC1=CC=CC2=C1NC(=O)C=C2OC

InChI

InChI=1S/C11H11NO3/c1-14-8-5-3-4-7-9(15-2)6-10(13)12-11(7)8/h3-6H,1-2H3,(H,12,13)

InChIKey

HPPSTURWGYFXQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15272-24-9

CID: 826073

Formula: C11H11NO3

MW: 205.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.21
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	205.07389321
Monoisotopic Mass	205.07389321
Topological Polar Surface Area	47.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	288
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