Prionoid B

CAT: 0926-EKB32475-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-EKB32475-01Size:10 mg

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CAS Number

879324-75-1

Smiles

CC1=C2C (=O) C (OC3=C2C (=CC (=C3O) C (C) C) C=C1) C=C (C) C

Molecular Formula

C20H22O3

Molecular Weight

310.4 g/mol

Controlled

Chemical Information

Prionoid B

CAS Number	879324-75-1
PubChem CID	102004771
IUPAC Name	12-hydroxy-6-methyl-3-(2-methylprop-1-enyl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-4-one
Molecular Formula	C20H22O3
Molecular Weight	310.4
XLogP	5.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	23
Formal Charge	0
Complexity	491

SMILES

CC1=C2C(=O)C(OC3=C2C(=CC(=C3O)C(C)C)C=C1)C=C(C)C

InChI

InChI=1S/C20H22O3/c1-10(2)8-15-19(22)16-12(5)6-7-13-9-14(11(3)4)18(21)20(23-15)17(13)16/h6-9,11,15,21H,1-5H3

InChIKey

WLCQIECMEDJZSS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 879324-75-1

CID: 102004771

Formula: C20H22O3

MW: 310.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.4
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	310.15689456
Monoisotopic Mass	310.15689456
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	491
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes