AG003KG7

39800-63-0 | 4,4'-Dibutoxy-1,1'-biphenyl

AG003KG7

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CAS Number	39800-63-0
Catalog Number	AG003KG7(AGN-PC-0JTNBZ)
Chemical Name	4,4'-Dibutoxy-1,1'-biphenyl
IUPAC Name	1-butoxy-4-(4-butoxyphenyl)benzene
InChI	InChI=1S/C20H26O2/c1-3-5-15-21-19-11-7-17(8-12-19)18-9-13-20(14-10-18)22-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3
InChI Key	IBCVAKLNEYUUBM-UHFFFAOYSA-N
MDL Number	MFCD00059419
Molecular Formula	C20H26O2
Molecular Weight	298.4192
SMILES	CCCCOC1=CC=C(C2=CC=C(OCCCC)C=C2)C=C1
Synonyms	4,4'-Dibutoxybiphenyl, 39800-63-0, 4,4'-Dibutoxy-1,1'-biphenyl, 4,4'-DI-N-BUTOXYBIPHENYL, IBCVAKLNEYUUBM-UHFFFAOYSA-N, 1-butoxy-4-(4-butoxyphenyl)benzene, 4,4-dibutoxybiphenyl, PubChem9097, AC1LCPE9, 4,4-Di-N-Butoxybiphenyl, 4,4\\'-Dibutoxybiphenyl, ACMC-209j7v, SCHEMBL5583851, CTK8B1615, DTXSID10345414, ZINC2522817, 4,4'-Dibutoxy-1,1'-biphenyl #, ANW-29177, MFCD00059419, AKOS015839679, RTR-015890, ACM39800630, KS-0000124Y, TR-015890, D1082, FT-0656119, A824738, C-46593, CID604312,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	298.193g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.426g/mol
Monoisotopic Mass	298.193g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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