Indoleacetic Acid-d4

CAT: 0024-sc-488366Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-488366Size:2.5 mg

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CAS Number

76937-77-4

Chemical Information

Indoleacetic Acid-d4

CAS Number	76937-77-4
PubChem CID	24751554
IUPAC Name	2-(4,5,6,7-tetradeuterio-1H-indol-3-yl)acetic acid
Molecular Formula	C10H9NO2
Molecular Weight	179.21
XLogP	1.4
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

[2H]C1=C(C(=C2C(=C1[2H])C(=CN2)CC(=O)O)[2H])[2H]

InChI

InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)/i1D,2D,3D,4D

InChIKey

SEOVTRFCIGRIMH-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 76937-77-4

CID: 24751554

Formula: C10H9NO2

MW: 179.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.21
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	179.088435514
Monoisotopic Mass	179.088435514
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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