Naphtho[2,3-a]pyrene

CAT: 0127-OR1077437Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1077437Size:100 mg

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CAS Number

196-42-9

MDL Number

MFCD00191469

Purity

>98.0%

Smiles

C1=CC=C2C=C3C4=C5C (=CC3=CC2=C1) C=CC6=C5C (=CC=C6) C=C4

Chemical Information

Naphtho(2,3-a)pyrene

CAS Number	196-42-9
PubChem CID	9137
IUPAC Name	hexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
Molecular Formula	C24H14
Molecular Weight	302.4
XLogP	7.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	24
Formal Charge	0
Complexity	480

SMILES

C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C=CC6=C5C(=CC=C6)C=C4

InChI

InChI=1S/C24H14/c1-2-5-18-14-22-20(12-17(18)4-1)13-19-9-8-15-6-3-7-16-10-11-21(22)24(19)23(15)16/h1-14H

InChIKey

AXSJLZJXXUBRBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 196-42-9

CID: 9137

Formula: C24H14

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	7.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	302.109550447
Monoisotopic Mass	302.109550447
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	480
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
OR1101558	3-Hydroxybenzo[a]pyrene
OR1089028	Naphtho[2,3-d][1,3]dioxole
OR53219-01	Indeno[1,2,3-cd]pyrene
OR1062920-01	Naphtho[2,3-b]benzofuran-3-ylboronic acid
OR74839-01	Naphtho[2,3-c]furan-1,3-dione
OR89667-01	2-Bromobenzo[b]naphtho[2,3-d]furan
OR1055349-01	Naphtho[2,3-b]benzofuran-2-ylboronic acid
OR1053347-01	Naphtho[2,3-b]benzofuran-1-ol
OR1078091	Naphtho[2,3-b]thiophene (purified by sublimation)
OR72328	Pyrene

Catalog	Name
sc-228815A	Naphtho[2,3-a]pyrene
TRC-N368020-0.5MG	Naphtho[2,3-e]pyrene
REPAH2902	PAH Std Naphtho(23-a)pyrene 200ug/mL in Toluene - 1ML
TRC-B131165-250MG	Naphtho[2,3-b]benzofuran
REPAH2903	PAH Std Naphtho(23-e)pyrene 200ug/mL in Toluene - 1ML
MBS5800192	Pyrene azide 3
GTR19281207-01	3-Hydroxybenzo[a]pyrene
A8122-5	Pyrene azide 2
DAA44278-01	2-Methyl-pyrene
JH914050	Naphtho[2,3-b]benzofuran-3-amine