Nordihydrocapsiate

CAT: 0862-GW0276-100mgSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0862-GW0276-100mgSize:100 mg

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CAS Number

220012-53-3

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

Nordihydrocapsiate

Nordihydrocapsiate is a member of phenols and a member of methoxybenzenes.

CAS Number	220012-53-3
PubChem CID	9817607
IUPAC Name	(4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate
Molecular Formula	C17H26O4
Molecular Weight	294.4
XLogP	4.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	21
Formal Charge	0
Complexity	291

SMILES

CC(C)CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C17H26O4/c1-13(2)7-5-4-6-8-17(19)21-12-14-9-10-15(18)16(11-14)20-3/h9-11,13,18H,4-8,12H2,1-3H3

InChIKey

BXBVPYSHEOQGHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220012-53-3

CID: 9817607

Formula: C17H26O4

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	294.18310931
Monoisotopic Mass	294.18310931
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	291
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

Catalog	Name
TRC-N232015-500MG	Nordihydrocapsiate