AG00DAJE

490-63-1 | 2-Formyl-4,5-dimethoxy-benzoic acid

AG00DAJE

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CAS Number	490-63-1
Catalog Number	AG00DAJE(AGN-PC-0LXAB8)
Chemical Name	2-Formyl-4,5-dimethoxy-benzoic acid
IUPAC Name	2-formyl-4,5-dimethoxybenzoic acid
InChI	InChI=1S/C10H10O5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key	CXANNUKKXKKTKG-UHFFFAOYSA-N
MDL Number	MFCD06739602
Molecular Formula	C10H10O5
Molecular Weight	210.1834
SMILES	O=C(O)C1=CC(OC)=C(OC)C=C1C=O
Synonyms	2-formyl-4,5-dimethoxybenzoic acid, 490-63-1, 2-formyl-4,5-dimethoxy-benzoic Acid, Benzoic acid, 2-formyl-4,5-dimethoxy-, m-Opiansaure, AC1OGVC4, SCHEMBL4169467, CTK1D1048, DTXSID00428346, 4,5-Dimethoxyphthalaldehydic acid, CXANNUKKXKKTKG-UHFFFAOYSA-N, ZINC4299108, 6665AB, AKOS005209319, AJ-50498, AK120646, AX8246062, 2-formyl-4,5-dimethoxy-benzoic acid, AldrichCPR, C10H10O5, CID7176207,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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