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Naphtho[2,3-a]pyrene

CAT: 0572-TRC-N368030-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N368030-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
196-42-9
Synonyms
Naphtho[2,1,8-qra]naphthacene; Naphtho[2,3-a]pyrene; Naphtho[2,3-b]pyrene; Naphtho[8,1,2-cde]naphthacene
Hazard Statement
No Data Available
Smiles
c1ccc2cc3c(cc2c1)cc4ccc5cccc6ccc3c4c56
Molecular Formula
C24 H14
Molecular Weight
302.368
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
Shipping Conditions
Room Temperature

Chemical Information

Naphtho(2,3-a)pyrene
CAS Number196-42-9
PubChem CID9137
IUPAC Namehexacyclo[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 FormulaC24H14
Molecular Weight302.4
XLogP7.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity480
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
2D structure of Naphtho(2,3-a)pyrene
CAS: 196-42-9
CID: 9137
Formula: C24H14
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass302.109550447
Monoisotopic Mass302.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count24
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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