Aurin

CAT: 0926-FA01472-04Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FA01472-04Size:250 g

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CAS Number

603-45-2

Synonyms

P-Rosolic acid;4-[Bis (4-hydroxyphenyl) methylene]-2,5-cyclohexadienone; Corallin

MDL Number

MFCD00001624

Smiles

C1=CC (=O) C=CC1=C (C2=CC=C (C=C2) O) C3=CC=C (C=C3) O

Molecular Weight

290.31 g/mol

Controlled

Chemical Information

Aurin

Aurin is a diarylmethane.

CAS Number	603-45-2
PubChem CID	5100
IUPAC Name	4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
Molecular Formula	C19H14O3
Molecular Weight	290.3
XLogP	3.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	457

SMILES

C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H

InChIKey

FYEHYMARPSSOBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 603-45-2

CID: 5100

Formula: C19H14O3

MW: 290.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	290.3
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	290.094294304
Monoisotopic Mass	290.094294304
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	457
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
258166-01	Aurin
RRBD26901-W	P-Rosolic Acid (Aurin)
00317 00100	Aurin (P-Rosolic Acid) For Microscopy
241708-01	Rosolic acid (Aurin, CI 43800, 4-[Bis (4-hydroxyphenyl) methylene]-2,5-cyclohexadien-1-one)