AG002K3R

2092-49-1 | [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-

AG002K3R

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CAS Number	2092-49-1
Catalog Number	AG002K3R(AGN-PC-0JM12Y)
Chemical Name	[1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
FEMA Number	4107
IUPAC Name	3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
InChI	InChI=1S/C16H14O6/c1-21-13-5-9(7-17)3-11(15(13)19)12-4-10(8-18)6-14(22-2)16(12)20/h3-8,19-20H,1-2H3
InChI Key	NSTQUZVZBUTVPY-UHFFFAOYSA-N
MDL Number	MFCD00156888
Molecular Formula	C16H14O6
Molecular Weight	302.2788
NSC Number	16723
SMILES	OC1=C(C=C(C=C1C1=CC(=CC(=C1O)OC)C=O)C=O)OC
UNII	29PYY1H4BT
Synonyms	dehydrodivanillin, Dehydrodivanillin, 2092-49-1, Divanillin, 5,5'-Bivanillin, 6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde, UNII-29PYY1H4BT, 29PYY1H4BT, [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-, 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde, NSTQUZVZBUTVPY-UHFFFAOYSA-N, 6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehyde, 21466-86-4, 5,5-Bisvanillin, AC1L3TJR, AC1Q6QDE, bmse010019, CHEMBL41304, SCHEMBL1487492, CTK8D4591, KS-00000TBD, ALBB-025820, NSC16723, ZINC1747302, ZX-AN024333, MFCD00156888, NSC 16723, NSC-16723, SBB071517, AKOS015889366, ACN-051492, MCULE-8012481252, WT81732, 3, 6,6'-dihydroxy-5,5'-dimethoxy-, AK193939, DS-10405, AB0109462, TX-012168, FT-0688576, R2324, I01-18295, [1,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-, 6,6'-Dihydroxy-5,5'-dimethoxy-biphenyl-3,3'-dicarbaldehyde, 3,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-, 6,6-Dihydroxy-5,5-dimethoxy-[1,1-biphenyl]-3,3-dicarboxaldehyde, 3,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy- (8CI), 3-(3-formyl-6-hydroxy-5-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde, 6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarbaldehyde #, (1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy- (9CI), Dehydrovanillin, CID95086, AR-1G5882, 3,3-Biphenyldicarboxaldehyde, 6,6-dihydroxy-5,5-dimethoxy- (8CI), [1,1'-Biphenyl]-3,3'-dicarboxaldehyde,6,6'-dihydroxy-5,5'-dimethoxy-,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.079g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	302.282g/mol
Monoisotopic Mass	302.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	93.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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