Crystal Violet lactone

CAT: 0024-sc-214780ASize: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-214780ASize:25 g

Selected

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

Quick Request Actions

CAS Number

1552-42-7

Chemical Information

Crystal Violet lactone

Crystal violet lactone is a member of benzofurans.

CAS Number	1552-42-7
PubChem CID	73773
IUPAC Name	6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
Molecular Formula	C26H29N3O2
Molecular Weight	415.5
XLogP	5.3
Topological Polar Surface Area	36
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	590

SMILES

CN(C)C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)N(C)C)C(=O)O2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H29N3O2/c1-27(2)20-11-7-18(8-12-20)26(19-9-13-21(14-10-19)28(3)4)24-16-15-22(29(5)6)17-23(24)25(30)31-26/h7-17H,1-6H3

InChIKey

IPAJDLMMTVZVPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1552-42-7

CID: 73773

Formula: C26H29N3O2

MW: 415.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.5
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	415.22597718
Monoisotopic Mass	415.22597718
Topological Polar Surface Area	36 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	590
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
267370-01	Crystal Violet Lactone
B1920-5.1	Crystal Violet