Naphthalene

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CAS Number

91-20-3

Synonyms

Naphthalene

Molecular Formula

C10H8

Molecular Weight

128.17

API Name

Naphthalene

Chemical Information

Naphthalene

Naphthalene can cause cancer according to The National Toxicology Program.

CAS Number	91-20-3
PubChem CID	931
IUPAC Name	naphthalene
Molecular Formula	C10H8
Molecular Weight	128.17
XLogP	3.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

C1=CC=C2C=CC=CC2=C1

InChI

InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

InChIKey

UFWIBTONFRDIAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-20-3

CID: 931

Formula: C10H8

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	128.062600255
Monoisotopic Mass	128.062600255
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.6
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
AR-T02543-01	O-naphthalen-2-yl carbonochloridothioate
AR-D02547-01	Duloxetine 2-Naphthalenol Impurity
AR-P03142-01	Propranolol-d7 (Naphthalenyl-d7)
AR-C02855-01	(1R) -1-Naphthalen-1-ylethanamine Hydrochloride
AR-T06282-01	Tolnaftate 2-naphthalenyl ester Analog
AR-N08338-01	6,7-Dibromo-2-naphthalenol
AR-N08339-01	1,3-Dibromo-2-naphthalenol
AR-N08342-01	3,6-Dibromo-2-Naphthalenol
AR-T02545-01	O-naphthalen-2-yl O-hydrogen carbonothioate
AR-N08273-01	4a,8a-Dimethyl-octahydro-naphthalen-2-one

Catalog	Name
N00140-01	Naphthalene
PCA98586-01	Naphthalene-1-carbonyl naphthalene-1-carboxylate
SL1020-100	Naphthalene-d8
LC-10498.1	Naphthalene p.A.
TRC-N345603-25MG	Naphthalene-13C10
GPC2468-5X	Naphthalene 99%
HY-W777535S	Naphthalene-13C6