Propylparaben-d4

CAT: 0931-TMID-0173-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-TMID-0173-01Size:1 mg

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CAS Number

1219802-67-1

Target

Endogenous Metabolite, Apoptosis, Antibacterial

Related Pathways

Microbiology/Virology, Metabolism, Apoptosis

Bioactivity

Propylparaben-d4 is a deuterated compound of Propylparaben. Propylparaben has a CAS number of 94-13-3. Propylparaben is an antimicrobial agent, preservative, flavouring agent

Smiles

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

Molecular Formula

C10H8D4O3

Molecular Weight

184.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Propylparaben-d4

See also: Propylparaben (annotation moved to).

CAS Number	1219802-67-1
PubChem CID	131674243
IUPAC Name	propyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate
Molecular Formula	C10H12O3
Molecular Weight	184.22
XLogP	3
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	160

SMILES

[2H]C1=C(C(=C(C(=C1C(=O)OCCC)[2H])[2H])O)[2H]

InChI

InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3/i3D,4D,5D,6D

InChIKey

QELSKZZBTMNZEB-LNFUJOGGSA-N

Chemical Structure

2D Structure

CAS: 1219802-67-1

CID: 131674243

Formula: C10H12O3

MW: 184.22

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	184.22
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.103751224
Monoisotopic Mass	184.103751224
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160
Isotope Atom Count	4
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

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T206557-01	Enclomiphene-d4
T211804-01	Pyrocatechol-d4
T211023-01	Bilirubin-d4
T210574-01	Octisalate-d4
TMIH-0194-01	DINP-d4
T10351-01	Aprocitentan D4

Alternative Products

Catalog	Name
HY-N2026S1-01	Propylparaben-d4
MBS3610288-01	Propylparaben
HY-N2026R-01	Propylparaben (Standard)
HY-N2026S	Propylparaben-d7
414766	Propylparaben Na
TRC-S673265-1G	Sodium Propylparaben
MBS5800686	Propylparaben sodium

Propylparaben-d4

Chemical Information

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