AG00ICEW

73536-69-3 | [4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-,dimethyl ester

AG00ICEW

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CAS Number	73536-69-3
Catalog Number	AG00ICEW(AGN-PC-0U36XN)
Chemical Name	[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-,dimethyl ester
IUPAC Name	methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate
InChI	InChI=1S/C20H18O10/c1-23-11-5-9(19(21)25-3)13(17-15(11)27-7-29-17)14-10(20(22)26-4)6-12(24-2)16-18(14)30-8-28-16/h5-6H,7-8H2,1-4H3
InChI Key	JMZOMFYRADAWOG-UHFFFAOYSA-N
MDL Number	MFCD01751431
Molecular Formula	C20H18O10
Molecular Weight	418.3509
SMILES	O=C(C1=CC(OC)=C(OCO4)C4=C1C2=C3C(OCO3)=C(OC)C=C2C(OC)=O)OC
UNII	0G32E321W1
Synonyms	7,7'-dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester, alpha-diphenyldicarboxylate, BDD, biphenyl dimethyl-dicarboxylate, dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate, dimethyl diphenyl bicarboxylate, diphenyl dimethyl dicarboxylate, Bifendate, 73536-69-3, Bifendatatum, Dimethyl 7,7'-dimethoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate, Bifendate,(S), CCRIS 7767, UNII-0G32E321W1, BRN 5461320, 7,7'-Dimethoxy-(4,4'-bi-1,3-benzodioxole)-5,5'-dicarboxylic acid dimethyl ester, C20H18O10, 0G32E321W1, AK-28440, Dimethyl 7,7'-dimethoxy-(4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylate, Dimethyl-4,4'-dimethoxyl-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate, Dimethyl 4,4'-dimethoxy-5,6,5',6'-bis(methylenedioxy)biphenyl-2,2'-dicarboxylate, methyl 7-methoxy-4-(7-methoxy-5-methoxycarbonyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carboxylate, (4,4'-Bi-1,3-benzodioxole)-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, dimethyl ester, methyl 7-methoxy-4-[7-methoxy-5-(methoxycarbonyl)-2H-1,3-benzodioxol-4-yl]-2H-1,3-benzodioxole-5-carboxylate, biphenyl dimethyl-dicarboxylate, diphenyl dimethyl dicarboxylate, Bifendatatum (B.D.D), AC1Q5ZQJ, AC1L33JZ, SCHEMBL896166, CHEMBL105184, KS-00000KZD, DTXSID40223736, dimethyl 7,7'-dimethoxy-4,4'-bi-1,3-benzodioxole-5,5'-dicarboxylate, MFCD01751431, ZINC12153845, AKOS015895317, CS-W019577, AJ-60748, AS-13115, BR-28440, H367, LS-43561, SC-16241, SY021274, AB0013011, AX8040653, ST2412833, FT-0080163, FT-0602821, MFCD01751431 (97%), S-6169, 536B693, I06-0698, 2,2'-Dimethoxycarbonyl-4,4'-dimethoxy-5,6,5',6'-bismethylenedioxybiphenyl, Dimethyl 7,7'-dimethoxy-4,4'-bibenzo[d][1,3]dioxole-5,5'-dicarboxylate, [4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-,dimethyl ester, Dimethyl 7,7 inverted exclamation mark -Dimethoxy-[4,4 inverted exclamation mark -bi-1,3-benzodioxole]-5,5 inverted exclamation mark -dicarboxylate, alpha-diphenyldicarboxylate, dimethyl diphenyl bicarboxylate, AR-1I5610, CID108213, C20-H18-O10, C041398, C465548, dimethyl 4,4'-dimethoxy-5,6,5',6'-dimethylenedioxybiphenyl-2,2'-dicarboxylate, BDD, 76478-22-3, DDB,

Complexity	587
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.09g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	418.354g/mol
Monoisotopic Mass	418.09g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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