AG00D9V0

52939-06-7 | 5-(4-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER

AG00D9V0

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CAS Number	52939-06-7
Catalog Number	AG00D9V0(AGN-PC-006ITO)
Chemical Name	5-(4-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 5-(4-aminophenyl)furan-2-carboxylate
InChI	InChI=1S/C12H11NO3/c1-15-12(14)11-7-6-10(16-11)8-2-4-9(13)5-3-8/h2-7H,13H2,1H3
InChI Key	JOIQXOMSFVFDQY-UHFFFAOYSA-N
MDL Number	MFCD06797396
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	O=C(C1=CC=C(C2=CC=C(N)C=C2)O1)OC
Synonyms	52939-06-7, Methyl 5-(4-aminophenyl)furan-2-carboxylate, 5-(4-Aminophenyl)furan-2-carboxylic acid methyl ester, ACMC-1ASRG, SCHEMBL1143497, CTK4J6760, 2-Furancarboxylic acid, 5-(4-aminophenyl)-, methyl ester, DTXSID20461952, JOIQXOMSFVFDQY-UHFFFAOYSA-N, BM481, ZXBA000384, ANW-31595, MFCD06797396, ZINC12957755, Methyl 5-(4-aminophenyl)-2-furoate, AKOS015894351, ACM52939067, AJ-63299, AK-90927, AS-47628, CJ-14288, AX8100894, ST2407267, TC-120340, V6418, K-9630, I04-9605, Methyl 5-(4-aminophenyl)furan-2-carboxylate, 97%, C12H11NO3, CID11310484, 5- FURAN-2-CARBOXYLICACIDMETHYLESTER,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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