Cinnamolide

CAT: 0926-YAA59947-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-YAA59947-02Size:25 mg

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CAS Number

23599-47-5

Smiles

CC1 (CCCC2 (C1CC=C3C2COC3=O) C) C

Molecular Formula

C15H22O2

Molecular Weight

234.33 g/mol

Controlled

Chemical Information

Cinnamolide

Cinnamolide is a naphthofuran.

CAS Number	23599-47-5
PubChem CID	12303261
IUPAC Name	(5aS,9aS,9bR)-6,6,9a-trimethyl-5,5a,7,8,9,9b-hexahydro-1H-benzo[e][2]benzofuran-3-one
Molecular Formula	C15H22O2
Molecular Weight	234.33
XLogP	4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Formal Charge	0
Complexity	394

SMILES

C[C@]12CCCC([C@@H]1CC=C3[C@@H]2COC3=O)(C)C

InChI

InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)11-9-17-13(16)10(11)5-6-12(14)15/h5,11-12H,4,6-9H2,1-3H3/t11-,12-,15+/m0/s1

InChIKey

UMUMRNRVJNFLPT-SLEUVZQESA-N

Chemical Structure

2D Structure

CAS: 23599-47-5

CID: 12303261

Formula: C15H22O2

MW: 234.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.33
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	234.161979940
Monoisotopic Mass	234.161979940
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	394
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC64888-01	Cinnamamide
YCA10879-01	N- (2-Chlorophenyl) cinnamamide
VAA37537-01	P-Hydroxy-N- (p-hydroxyphenethyl) -cinnamamide

Catalog	Name
HY-N9780-01	Cinnamolide