Eucalyptin acetate

CAT: 0926-PAA00435-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-PAA00435-01Size:5 mg

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CAS Number

14004-35-4

MDL Number

MFCD20260511

Smiles

CC1=C2C (=C (C (=C1OC) C) OC (=O) C) C (=O) C=C (O2) C3=CC=C (C=C3) OC

Molecular Formula

C21H20O6

Molecular Weight

368.4 g/mol

Controlled

Chemical Information

Eucalyptin acetate

CAS Number	14004-35-4
PubChem CID	91895350
IUPAC Name	[7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxochromen-5-yl] acetate
Molecular Formula	C21H20O6
Molecular Weight	368.4
XLogP	3.6
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	591

SMILES

CC1=C2C(=C(C(=C1OC)C)OC(=O)C)C(=O)C=C(O2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20O6/c1-11-19(25-5)12(2)21-18(20(11)26-13(3)22)16(23)10-17(27-21)14-6-8-15(24-4)9-7-14/h6-10H,1-5H3

InChIKey

XCJBAXUKWUWAJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14004-35-4

CID: 91895350

Formula: C21H20O6

MW: 368.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	368.12598835
Monoisotopic Mass	368.12598835
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	591
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

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FE23212-01	Exenatide acetate
FD22622-01	Drostanolone acetate

Catalog	Name
MBS5791390	Eucalyptin acetate
TB00028	Eucalyptin
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HY-166875S	Apramycin acetate-d7 (acetate)
3121685	Copper acetate (Cupic acetate)
3121630	Cobalt acetate (Cobaltous acetate)
MA-0130	Acetate
T40624-01	Methyl acetate-PEG1-methyl acetate