AG0039MN

4122-56-9 | Methyl 2-formylbenzoate

AG0039MN

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CAS Number	4122-56-9
Catalog Number	AG0039MN(AGN-PC-0JOH1Y)
Chemical Name	Methyl 2-formylbenzoate
IUPAC Name	methyl 2-formylbenzoate
InChI	InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3
InChI Key	YRMODRRGEUGHTF-UHFFFAOYSA-N
MDL Number	MFCD00204231
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	52152
SMILES	O=C(OC)C1=CC=CC=C1C=O
Synonyms	Methyl 2-formylbenzoate, 4122-56-9, 2-Carbomethoxybenzaldehyde, Methyl o-formylbenzoate, Phthalaldehydic acid, methyl ester, Benzoic acid, formyl-, methyl ester, Methyl 2-formylbenzenecarboxylate, YRMODRRGEUGHTF-UHFFFAOYSA-N, Benzoic acid, 2-formyl-, methyl ester, AC1L6AMY, Methyl 2-FormYl-Benzoate, AC1Q42EA, methylformylbenzenecarboxylate, SCHEMBL121356, METHYL-2-FORMYLBENZOATE, AC1Q42E9, AC1Q43X9, Formyl-benzoic acid methyl ester, CTK2A9823, 2-formylbenzoic acid methyl ester, ZINC153305, 2-formyl-benzoic acid methyl ester, KS-00000N3W, NSC52152, ANW-72899, BBL103145, CL8542, MFCD00204231, NSC-52152, SBB064193, STL556955, AKOS001111170, AM84164, CS-W004677, MCULE-4277651382, RP10301, AJ-12934, AK-49779, BR-49779, CJ-01246, EN002292, SC-65394, ZB005392, AB0024820, DB-049729, ST2419524, TR-033577, 4CH-015228, FT-0628455, W6166, EN300-13720, C-5731, 122M569, 10X-0992, J-522021, 63123-14-8, Benzoic acid, methyl ester, C9H8O3, AR-1J6088, CID243003, Methyl 2-formylbenzoate, 97% - 1G 1g, 53681-48-4,

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	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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