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2-Anthracenecarboxylic Acid

CAT: 0572-TRC-A697813-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A697813-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
613-08-1
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
OC(=O)c1ccc2cc3ccccc3cc2c1
Molecular Formula
C15H10O2
Molecular Weight
222.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Anthracenecarboxylic Acid

2-anthroic acid is an anthroic acid.

CAS Number613-08-1
PubChem CID101325
IUPAC Nameanthracene-2-carboxylic acid
Molecular FormulaC15H10O2
Molecular Weight222.24
XLogP4.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity299
SMILES
C1=CC=C2C=C3C=C(C=CC3=CC2=C1)C(=O)O
InChI
InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
InChIKey
RZRJYURCNBXIST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Anthracenecarboxylic Acid
CAS: 613-08-1
CID: 101325
Formula: C15H10O2
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass222.068079557
Monoisotopic Mass222.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity299
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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