BVT948

CAT: 0127-BUP04096-05Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP04096-05Size:50 mg

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

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CAS Number

39674-97-0

Purity

=98%

Smiles

CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc21

Chemical Information

4-hydroxy-3,3-dimethyl-2H-benzo[g]indole-2,5(3H)-dione

structure in first source

CAS Number	39674-97-0
PubChem CID	6604934
IUPAC Name	3,3-dimethyl-1H-benzo[g]indole-2,4,5-trione
Molecular Formula	C14H11NO3
Molecular Weight	241.24
XLogP	1
Topological Polar Surface Area	63.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	501

SMILES

CC1(C2=C(C3=CC=CC=C3C(=O)C2=O)NC1=O)C

InChI

InChI=1S/C14H11NO3/c1-14(2)9-10(15-13(14)18)7-5-3-4-6-8(7)11(16)12(9)17/h3-6H,1-2H3,(H,15,18)

InChIKey

LLPBUXODFQZPFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39674-97-0

CID: 6604934

Formula: C14H11NO3

MW: 241.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.24
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	241.07389321
Monoisotopic Mass	241.07389321
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	501
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
M26636-01	BVT948