AG003RXU

78515-16-9 | Methyl 5-formyl-2-methoxybenzoate

AG003RXU

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CAS Number	78515-16-9
Catalog Number	AG003RXU(AGN-PC-0NBQ0B)
Chemical Name	Methyl 5-formyl-2-methoxybenzoate
IUPAC Name	methyl 5-formyl-2-methoxybenzoate
InChI	InChI=1S/C10H10O4/c1-13-9-4-3-7(6-11)5-8(9)10(12)14-2/h3-6H,1-2H3
InChI Key	CNRMXICSYWVJRD-UHFFFAOYSA-N
MDL Number	MFCD10565654
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	COC(=O)C1=C(OC)C=CC(C=O)=C1
Synonyms	METHYL 5-FORMYL-2-METHOXYBENZOATE, 78515-16-9, Methyl5-formyl-2-methoxybenzoate, Benzoic acid, 5-formyl-2-methoxy-, methyl ester, Methyl 5-formyl-2-methoxy-benzoate, PubChem19967, ACMC-209pej, SCHEMBL1505421, CTK5E5864, KS-00000AXN, DTXSID60446041, CNRMXICSYWVJRD-UHFFFAOYSA-N, methyl 2-methoxy-5-formylbenzoate, BCP17120, CS-M3114, ANW-37193, KM1918, MFCD10565654, ZINC34534608, AKOS005216242, 4-methoxy-3-methoxycarbonylbenzaldehyde, CM14011, TRA0080558, AC-22887, AJ-89142, AK-78739, AN-36634, CJ-18451, DS-17501, SC-27273, SY002305, 5-formyl-2-methoxybenzoic acid methyl ester, TC-125938, FT-0690135, V7761, A23736, Benzoic acid,5-formyl-2-methoxy-, methyl ester, MFCD10565654 (97+%), 515M169, I01-10083, C10H10O4, ACN-040736, CID10856352,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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