P-Ethylhydratropic acid-d3

CAT: 0926-UWC75391-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-UWC75391-01Size:25 mg

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CAS Number

1794753-91-5

Smiles

CCC1=CC=C (C=C1) C (C) C (=O) O

Molecular Formula

C11H14O2

Molecular Weight

181.25 g/mol

Controlled

Chemical Information

p-Ethylhydratropic Acid-d3

CAS Number	1794753-91-5
PubChem CID	71316602
IUPAC Name	3,3,3-trideuterio-2-(4-ethylphenyl)propanoic acid
Molecular Formula	C11H14O2
Molecular Weight	181.25
XLogP	2.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	169

SMILES

[2H]C([2H])([2H])C(C1=CC=C(C=C1)CC)C(=O)O

InChI

InChI=1S/C11H14O2/c1-3-9-4-6-10(7-5-9)8(2)11(12)13/h4-8H,3H2,1-2H3,(H,12,13)/i2D3

InChIKey

VGMCZELQCNPMQV-BMSJAHLVSA-N

Chemical Structure

2D Structure

CAS: 1794753-91-5

CID: 71316602

Formula: C11H14O2

MW: 181.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.25
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	181.118209923
Monoisotopic Mass	181.118209923
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	169
Isotope Atom Count	3
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

Catalog	Name
AEA83559-01	P-Methoxyphenyl bromide-d3
IFC92014-01	Pristanic acid-d3
HDC48137-01	Methylboronic acid-d3
WMB53077-01	Oleanolic acid-d3
EIA25963-01	Acrylic acid-d3
FM177719-01	Mycophenolic acid-D3
DMB62331-01	Iothalamic acid-d3
BAA08977	P, P'-Diphenylethylenediphosphinic acid
FDA31458-01	P-Methoxyphenethyl methyl ether-d3
DRB20397-01	3-Hydroxy-4-methoxycinnamic acid-d3 (isoferulic acid-d3)

Catalog	Name
sc-497925	P-Ethylhydratropic Acid-d3
TRC-E918820-250MG	p-Ethylhydratropic Acid
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TRC-C781907-10MG	p-Cresol-d3 (Methyl-d3)
414354-01	2- (p-sec-Butylphenyl) propionic Acid-d3
TRC-B692722-100MG	2-(p-sec-Butylphenyl)propionic Acid-d3
T536213	p-Toluidine-d3 (methyl-d3)
P749412	p-Xylene-α,α,α-d3