AG003MRY

84923-70-6 | 5-Formyl-2-methoxybenzoic acid

AG003MRY

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CAS Number	84923-70-6
Catalog Number	AG003MRY(AGN-PC-0L2BLC)
Chemical Name	5-Formyl-2-methoxybenzoic acid
IUPAC Name	5-formyl-2-methoxybenzoic acid
InChI	InChI=1S/C9H8O4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChI Key	TTZPGMWNBQKNKX-UHFFFAOYSA-N
MDL Number	MFCD01442588
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	C(=O)(O)c1c(OC)ccc(c1)C=O
Synonyms	5-formyl-2-methoxybenzoic acid, 84923-70-6, Benzoic acid, 5-formyl-2-methoxy-, 2-Methoxy-5-formylbenzoic acid, PubChem19969, ACMC-209pyx, AC1MZSS8, 5-Formyl-2-methoxybenzoicAcid, SCHEMBL2934800, CTK8B2437, KS-00000CBG, DTXSID10398006, TTZPGMWNBQKNKX-UHFFFAOYSA-N, ALBB-026215, CS-Z0022, ANW-37927, KM2259, MFCD01442588, SBB017885, ZINC16226823, AKOS006243108, AM90135, MCULE-6606041971, TRA0043664, AC-22886, AJ-68838, AS-31186, SC-27317, SY002306, 5-formyl-2-methoxybenzoic acid, AldrichCPR, AB0059550, DB-014574, TC-126672, FT-0690105, ST45029571, V7985, MFCD01442588 (95%), A23732, I01-9519, C9H8O4, 5-formyl-2-methoxy-benzoic Acid, CID3926683,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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