TMPA

CAT: 0607-BA4628-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4628-5Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1258275-73-8

Form

A solid

Molecular Formula

C21H32O6

Molecular Weight

380.48

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Ethyl 2-(2,3,4-trimethoxy-6-(1-octanoyl)phenyl)acetate

Ethyl (2,3,4-trimethoxy-6-octanoylphenyl)acetate is an aromatic ketone.

CAS Number	1258275-73-8
PubChem CID	60146245
IUPAC Name	ethyl 2-(2,3,4-trimethoxy-6-octanoylphenyl)acetate
Molecular Formula	C21H32O6
Molecular Weight	380.5
XLogP	4.7
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Heavy Atom Count	27
Formal Charge	0
Complexity	438

SMILES

CCCCCCCC(=O)C1=CC(=C(C(=C1CC(=O)OCC)OC)OC)OC

InChI

InChI=1S/C21H32O6/c1-6-8-9-10-11-12-17(22)15-13-18(24-3)21(26-5)20(25-4)16(15)14-19(23)27-7-2/h13H,6-12,14H2,1-5H3

InChIKey

WCYMJQXRLIDSAQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1258275-73-8

CID: 60146245

Formula: C21H32O6

MW: 380.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.5
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	380.21988874
Monoisotopic Mass	380.21988874
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	438
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
B7053-50	TMPH hydrochloride
B7053-10	TMPH hydrochloride