AG003DY7

607-42-1 | 1-Anthracenecarboxylic Acid

AG003DY7

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CAS Number	607-42-1
Catalog Number	AG003DY7(AGN-PC-0JPI2X)
Chemical Name	1-Anthracenecarboxylic Acid
IUPAC Name	anthracene-1-carboxylic acid
InChI	InChI=1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)
InChI Key	CCFAKBRKTKVJPO-UHFFFAOYSA-N
MDL Number	MFCD00142583
Molecular Formula	C15H10O2
Molecular Weight	222.2387
SMILES	O=C(C1=C2C=C3C=CC=CC3=CC2=CC=C1)O
Synonyms	2-anthracenecarboxylic acid, anthracene-1-carboxylic acid, anthracene-1-carboxylic acid, sodium salt, 1-Anthracenecarboxylic acid, Anthracene-1-carboxylic acid, 607-42-1, 1-Anthroic acid, 1-Anthracenecarboxylicacid, CHEBI:38994, CCFAKBRKTKVJPO-UHFFFAOYSA-N, ACMC-209mlt, Anthracenecarboxylic acid, 1-Antheacenecarboxylic acid, 1-Anthracenecarboxilic acid, 1-Anthracene Carboxylic Acid, SCHEMBL123193, AC1L450O, CHEMBL2159006, CCFAKBRKTKVJPO-UHFFFAOYSA-, CTK2F6246, DTXSID60209512, ZINC2512240, ANW-33567, MFCD00142583, AKOS015840811, VZ21154, AC-27839, CC-03990, DB-053696, TR-020943, A1220, FT-0632527, A832868, C-12409, I14-56710, InChI=1/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17), CID150789, C15-H10-O2,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.068g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.243g/mol
Monoisotopic Mass	222.068g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Siginal words

Certificate of Analysis

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