9-Anthracenecarboxylic acid

CAT: 0127-OR11121-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR11121-01Size:25 g

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CAS Number

723-62-6

MDL Number

MFCD00001257

Purity

98%

Smiles

OC(=O)c1c2ccccc2cc3ccccc13

Chemical Information

9-Anthracenecarboxylic acid

9-anthroic acid is an anthroic acid carrying the carboxy substituent at position 9.

CAS Number	723-62-6
PubChem CID	2201
IUPAC Name	anthracene-9-carboxylic acid
Molecular Formula	C15H10O2
Molecular Weight	222.24
XLogP	3.8
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	277

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O

InChI

InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)

InChIKey

XGWFJBFNAQHLEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 723-62-6

CID: 2201

Formula: C15H10O2

MW: 222.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	222.24
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	222.068079557
Monoisotopic Mass	222.068079557
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	277
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
72853037-100g	9-Anthracenecarboxylic acid
TRC-A637258-10MG	1-Anthracenecarboxylic Acid
sc-471587	2-Anthracenecarboxylic Acid
594840-62-7	9-Anthracenecarboxylic acid, 2- (1,1- dimethylethoxy) -2- oxoethyl este
FDC16642	9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid-13C6
HY-W510032-01	9-Ethoxy-9-oxononanoic acid
DAA30017-01	9-Methylfluorene-9-carboxylic acid
sc-233735	9-Hydroxy-9-fluorenecarboxylic acid
P144518	Hexadecanoic-9,9-d2 Acid
MBS3920182-01	9(Z)-9-Octadecenedioic acid