AG00375E

52178-50-4 | Methyl 3-formylbenzoate

AG00375E

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CAS Number	52178-50-4
Catalog Number	AG00375E(AGN-PC-0JU6NJ)
Chemical Name	Methyl 3-formylbenzoate
IUPAC Name	methyl 3-formylbenzoate
InChI	InChI=1S/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H3
InChI Key	UVSBCUAQEZINCQ-UHFFFAOYSA-N
MDL Number	MFCD00189379
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	COC(=O)c1cccc(c1)C=O
Synonyms	methyl 3-formylbenzoate, 52178-50-4, 3-CARBOMETHOXYBENZALDEHYDE, methyl m-formylbenzoate, benzoic acid, 3-formyl-, methyl ester, 3-formylbenzoic acid methyl ester, MFCD00189379, Methyl 3-formylbenzoate, 98%, methyl-3-formylbenzoate, PubChem12631, m-carbomethoxybenzaldehyde, AC1LCXV8, methyl 3-formyl-benzoate, methyl 3-methanoylbenzoate, ACMC-1AM8J, m-methoxycarbonylbenzaldehyde, 3-methoxycarbonylbenzaldehyde, SCHEMBL47068, 3-methoxycarbonyl-benzaldehyde, KSC493O0N, 3-(Methoxycarbonyl)benzaldehyde, EBD339, CTK3J3706, DTXSID70348623, UVSBCUAQEZINCQ-UHFFFAOYSA-N, 3-formyl-benzoic acid methyl ester, BCP16016, KS-000000SW, ZINC2556341, Methyl benzaldehyde-?3-?carboxylate, ANW-49410, AKOS005265048, AS-8196, CS-W002489, RP22697, RTR-018536, VZ26534, AJ-39874, AK-45765, AN-41037, BR-45765, CJ-09391, SY004534, AB0025265, DB-052085, Methyl 3-formylbenzoate, >=98.0% (GC), ST2413355, TR-018536, AM20060653, FT-0600580, ST50824860, W6698, MFCD00189379 (97%), 178M504, A828956, I01-9183, InChI=1/C9H8O3/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-6H,1H, Methyl3-formylbenzoate, C9H8O3, CID639145, ACN-050629, Methyl 3-formylbenzoate, 98% - 1G 1g, S-2222,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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