AG00EIGF

606970-74-5 | 3-(5-Formyl-thiophen-2-yl)benzoic acid

AG00EIGF

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CAS Number	606970-74-5
Catalog Number	AG00EIGF(AGN-PC-0LF95B)
Chemical Name	3-(5-Formyl-thiophen-2-yl)benzoic acid
IUPAC Name	3-(5-formylthiophen-2-yl)benzoic acid
InChI	InChI=1S/C12H8O3S/c13-7-10-4-5-11(16-10)8-2-1-3-9(6-8)12(14)15/h1-7H,(H,14,15)
InChI Key	VIKAAKFSYUCLTJ-UHFFFAOYSA-N
MDL Number	MFCD06740280
Molecular Formula	C12H8O3S
Molecular Weight	232.2551
SMILES	O=C(O)C1=CC=CC(C2=CC=C(C=O)S2)=C1
Synonyms	3-(5-formylthiophen-2-yl)benzoic Acid, 606970-74-5, 3-(5-Formyl-thiophen-2-yl)-benzoic acid, 3-(5-formyl-2-thienyl)benzoic acid, AC1NGH42, AMTDA047, SCHEMBL2557368, CTK2F2015, DTXSID40405454, ZINC4312916, MFCD06740280, AKOS004113956, AS-2084, 3-(5-Formyl-2-thienyl)benzoic acid, 97%, BB 0222863, 5-(3-Carboxyphenyl)thiophene-2-carboxaldehyde, KS-00002279, M-1804, 3-(5-formyl-thiophen-2-yl)-benzoic acid, AldrichCPR, 3-(5-Formylthien-2-yl)benzoic acid - NEW PRODUCT, Z2681048108, C12H8O3S, CID4674814,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.019g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.253g/mol
Monoisotopic Mass	232.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	82.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number