Crystal violet lactone

6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one

CAS: 1552-42-7

Molecular Formula	`C26H29N3O2`
Molecular Weight	415.5 g/mol
LogP	5.3
Topological Polar Surface Area	36.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	415.22598
Heavy Atoms	31
Complexity	590.0

Chemical Identifiers

CAS Number	1552-42-7
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`
InChIKey	`IPAJDLMMTVZVPP-UHFFFAOYSA-N`

📖 Product Overview

Crystal violet lactone (CAS: 1552-42-7) is a chemical compound with molecular formula C26H29N3O2 and molecular weight 415.5 g/mol. Its IUPAC systematic name is 6-(dimethylamino)-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one. LogP 5.3 Topological Polar Surface Area 36.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 415.22598 Heavy Atoms 31 Complexity 590.0 InChI Key: IPAJDLMMTVZVPP-UHFFFAOYSA-N. 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.

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