AG00I7YC

4055-69-0 | Benzaldehyde, 2,3-dihydroxy-4-methoxy-

AG00I7YC

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CAS Number	4055-69-0
Catalog Number	AG00I7YC(AGN-PC-00BJDN)
Chemical Name	Benzaldehyde, 2,3-dihydroxy-4-methoxy-
IUPAC Name	2,3-dihydroxy-4-methoxybenzaldehyde
InChI	InChI=1S/C8H8O4/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-4,10-11H,1H3
InChI Key	OJZYLUUHIAKDJT-UHFFFAOYSA-N
MDL Number	MFCD00016589
Molecular Formula	C8H8O4
Molecular Weight	168.1467
SMILES	O=CC1=CC=C(OC)C(O)=C1O
Synonyms	2,3-Dihydroxy-4-methoxybenzaldehyde, 4055-69-0, 2,3-dihydroxy-4-methoxy-benzaldehyde, Benzaldehyde,2,3-dihydroxy-4-methoxy-, AK135937, Isovanillinalkohol, SCHEMBL1527154, CTK4I3341, KS-00000MLB, DTXSID30468513, OJZYLUUHIAKDJT-UHFFFAOYSA-N, ZINC2566018, 2,3-dihydroxy4-methoxy-benzaldehyde, 2,3-Dihydroxy-4methoxy-benzaldehyde, FCH837403, MFCD00016589, 2, 3-dihydroxy-4-methoxybenzaldehyde, AKOS000277714, 2,3,-dihydroxy-4-methoxy-benzaldehyde, ACM4055690, CD-1096, DS-5264, VZ34339, 4-methoxy-2,3-bis(oxidanyl)benzaldehyde, Benzaldehyde, 2,3-dihydroxy-4-methoxy-, AJ-41206, AX8065731, TL8002954, FT-0703916, 2,3-DIHYDROXY-4-METHOXY BENZALDEHYDE, J3.550.821J, 2,3-dihydroxy-4-methoxybenzaldehyde, AldrichCPR, A825167, C-57466, ACN-052945, CID11557352,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.148g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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