AG00HAOG

105650-34-8 | Benzoic acid, 5-formyl-2-methyl-

AG00HAOG

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CAS Number	105650-34-8
Catalog Number	AG00HAOG(AGN-PC-0NW616)
Chemical Name	Benzoic acid, 5-formyl-2-methyl-
IUPAC Name	5-formyl-2-methylbenzoic acid
InChI	InChI=1S/C9H8O3/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key	MVVDVVGJOWHJMU-UHFFFAOYSA-N
MDL Number	MFCD26673176
Molecular Formula	C9H8O3
Molecular Weight	164.1580
SMILES	O=C(O)C1=CC(C=O)=CC=C1C
Synonyms	5-Formyl-2-methylbenzoic acid, 105650-34-8, SCHEMBL10893340, Benzoic acid, 5-formyl-2-methyl-, MFCD26673176, ZINC83269595, AKOS022967519, AS-46330,

Complexity	188
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	1
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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