Oxyphenisatine

CAT: 0024-sc-478533Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-478533Size:1 g

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CAS Number

125-13-3

Chemical Information

Oxyphenisatin

Oxyphenisatine is a member of indoles.

CAS Number	125-13-3
PubChem CID	31315
IUPAC Name	3,3-bis(4-hydroxyphenyl)-1H-indol-2-one
Molecular Formula	C20H15NO3
Molecular Weight	317.3
XLogP	3.2
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	442

SMILES

C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H15NO3/c22-15-9-5-13(6-10-15)20(14-7-11-16(23)12-8-14)17-3-1-2-4-18(17)21-19(20)24/h1-12,22-23H,(H,21,24)

InChIKey

SJDACOMXKWHBOW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125-13-3

CID: 31315

Formula: C20H15NO3

MW: 317.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.3
XLogP3	3.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	317.10519334
Monoisotopic Mass	317.10519334
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	442
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
RM-O240800-01	Oxyphenisatine
TRC-O772550-10MG	Oxyphenisatine Dipropionate
HY-B2102R-01	Oxyphenisatine (Standard)
461770-01	Oxyphenisatine-d8
RM-O240804-01	Oxyphenisatine Impurity 4
RM-O240802-01	Oxyphenisatine Impurity 2
RM-O240803-01	Oxyphenisatine Impurity 3
RM-O240801-01	Oxyphenisatine Impurity 1
TRC-F772550-250MG	6-Fluoro-oxyphenisatine Dipropionate