Auxinole 500mg

CAT: 0628-A19909-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A19909-500Size:500 mg

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

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CAS Number

86445-22-9

Chemical Information

Auxinole

CAS Number	86445-22-9
PubChem CID	13077496
IUPAC Name	4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Molecular Formula	C20H19NO3
Molecular Weight	321.4
XLogP	3.6
Topological Polar Surface Area	70.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	478

SMILES

CC1=CC(=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C20H19NO3/c1-12-7-8-14(13(2)9-12)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)

InChIKey

HGUYAIJBXSQXGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 86445-22-9

CID: 13077496

Formula: C20H19NO3

MW: 321.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	321.4
XLogP3	3.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	321.13649347
Monoisotopic Mass	321.13649347
Topological Polar Surface Area	70.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	478
Isotope Atom Count	0
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

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