AG008SBC

102878-73-9 | 4-Pyridin-4-yl-butyric acid

AG008SBC

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CAS Number	102878-73-9
Catalog Number	AG008SBC(AGN-PC-0KPYRC)
Chemical Name	4-Pyridin-4-yl-butyric acid
IUPAC Name	4-pyridin-4-ylbutanoic acid
InChI	InChI=1S/C9H11NO2/c11-9(12)3-1-2-8-4-6-10-7-5-8/h4-7H,1-3H2,(H,11,12)
InChI Key	LTEOZJKVMBWJRT-UHFFFAOYSA-N
MDL Number	MFCD00673154
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(O)CCCC1=CC=NC=C1
Synonyms	4-Pyridin-4-yl-butyric acid, 4-Pyridinebutanoic acid, 102878-73-9, 4-(pyridin-4-yl)butanoic acid, 4-(4-pyridyl)butanoic acid, 4-pyridin-4-ylbutanoic Acid, LTEOZJKVMBWJRT-UHFFFAOYSA-N, ACMC-20e8pk, AC1MKMF1, 4-(4-pyridyl)butyric acid, 4-Pyridin-4-ylbutyric acid, 4-(4-pyridinyl)butanoic acid, SCHEMBL1624984, CTK0D8830, DTXSID10390202, RD-25, ZINC2582834, 7697AC, MFCD00673154, SBB014669, STK691862, AKOS000672473, MCULE-8739058216, NCGC00340276-01, AS-47669, DB-058879, ST4140335, TR-044229, BB 0256754, CS-0059802, FT-0754965, AB01331744-02, C9H11NO2, CID3159625, N/A,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.079g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	165.192g/mol
Monoisotopic Mass	165.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

Lot Number