AG008SBJ

103204-80-4 | 2,3-Dihydro-2-methyl-5-benzofurancarboxylic acid

AG008SBJ

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CAS Number	103204-80-4
Catalog Number	AG008SBJ(AGN-PC-0JUARJ)
Chemical Name	2,3-Dihydro-2-methyl-5-benzofurancarboxylic acid
IUPAC Name	2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
InChI	InChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)
InChI Key	NXNQXQFRCVUXIN-UHFFFAOYSA-N
MDL Number	MFCD03110444
Molecular Formula	C10H10O3
Molecular Weight	178.1846
SMILES	CC1OC2=C(C1)C=C(C=C2)C(=O)O
Synonyms	103204-80-4, 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid, 2-Methyl-2,3-dihydro-benzofuran-5-carboxylic acid, 2-Methyl-2,3-dihydrobenzofuran-5-carboxylic acid, BAS 03841123, 2-methyl-2,3-dihydrobenzo[b]furan-5-carboxylic acid, MLS000073306, AC1LDFH7, ChemDiv2_003463, 5-carboxy-2-methylcoumaran, Oprea1_358841, Oprea1_600844, SCHEMBL8690783, CHEMBL1478537, DTXSID50349436, NXNQXQFRCVUXIN-UHFFFAOYSA-N, HMS1378N09, HMS2186L12, ALBB-025384, 7747AC, BBL025591, MFCD03110444, SBB010622, STK023836, AKOS000111879, AKOS017258786, MCULE-6575312649, RTR-000727, SMR000012622, ST072082, AB0153219, TR-000727, FT-0677102, Y-0089, AO-080/43404983, 5-Benzofurancarboxylic acid, 2,3-dihydro-2-methyl-, I01-13763, Z57952782, 2-methyl-2,3-dihydro-benzofuran-5-carboxylic acid, AldrichCPR, C10H10O3, CID647255, 2,3-Dihydro-benzofuran-5-carboxylic acid methyl ester, ethyl 3-methyl-5-[(2-methylbenzyl)amino]-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.063g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.187g/mol
Monoisotopic Mass	178.063g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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