Chlorantholide A

CAT: 0926-XEC55833-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-XEC55833-03Size:25 mg

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CAS Number

1372558-33-2

MDL Number

MFCD23103567

Smiles

CC1=CC (=O) CC2 (C1CC3=C (C (=O) OC3=C2) C) C

Molecular Formula

C15H16O3

Molecular Weight

244.28 g/mol

Controlled

Chemical Information

Chlorantholide A

CAS Number	1372558-33-2
PubChem CID	101574495
IUPAC Name	(4aS,8aS)-3,5,8a-trimethyl-4a,8-dihydro-4H-benzo[f][1]benzofuran-2,7-dione
Molecular Formula	C15H16O3
Molecular Weight	244.28
XLogP	1.4
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	562

SMILES

CC1=CC(=O)C[C@]2([C@H]1CC3=C(C(=O)OC3=C2)C)C

InChI

InChI=1S/C15H16O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h4,7,12H,5-6H2,1-3H3/t12-,15+/m0/s1

InChIKey

HCWOSGGWMYYACF-SWLSCSKDSA-N

Chemical Structure

2D Structure

CAS: 1372558-33-2

CID: 101574495

Formula: C15H16O3

MW: 244.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.28
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	244.109944368
Monoisotopic Mass	244.109944368
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	562
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes