AG00C8R2

35461-99-5 | 3-(2-FURYL)BENZOIC ACID

AG00C8R2

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CAS Number	35461-99-5
Catalog Number	AG00C8R2(AGN-PC-0LLJI2)
Chemical Name	3-(2-FURYL)BENZOIC ACID
IUPAC Name	3-(furan-2-yl)benzoic acid
InChI	InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)
InChI Key	RQVVFGRDMHDHNI-UHFFFAOYSA-N
MDL Number	MFCD02690979
Molecular Formula	C11H8O3
Molecular Weight	188.1794
SMILES	C(=O)(O)c1cc(ccc1)c1ccco1
Synonyms	3-(furan-2-yl)benzoic acid, 3-(2-furyl)benzoic Acid, 35461-99-5, 3-Furan-2-yl-benzoic acid, 3-fur-2-ylbenzoic acid, m-(2-Furyl)benzoic acid, Oprea1_256261, Oprea1_369042, SCHEMBL941410, AC1NN725, Benzoic acid, 3-(2-furanyl)-, CTK4H4612, DTXSID30407689, RQVVFGRDMHDHNI-UHFFFAOYSA-N, KS-00000NA0, ZINC2584065, MFCD02690979, SBB090733, STK011653, 3-(2-furyl)benzoic acid, AldrichCPR, AKOS004119290, MCULE-2912353269, PS-5902, AJ-43357, AK105471, DB-069212, BB 0222415, FT-0736592, W-9694, I14-93930, CID5037933,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.047g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.182g/mol
Monoisotopic Mass	188.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number