AG007DTY

107777-22-0 | 4-Propyl-1-naphthoic acid

AG007DTY

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CAS Number	107777-22-0
Catalog Number	AG007DTY(AGN-PC-0IJZH1)
Chemical Name	4-Propyl-1-naphthoic acid
IUPAC Name	4-propylnaphthalene-1-carboxylic acid
InChI	InChI=1S/C14H14O2/c1-2-5-10-8-9-13(14(15)16)12-7-4-3-6-11(10)12/h3-4,6-9H,2,5H2,1H3,(H,15,16)
InChI Key	JCRVNKIHIKWKKC-UHFFFAOYSA-N
MDL Number	MFCD21337852
Molecular Formula	C14H14O2
Molecular Weight	214.2598
SMILES	CCCC1=CC=C(C(O)=O)C2=C1C=CC=C2
Synonyms	4-Propyl-1-naphthoic acid, 107777-22-0, 4-Propyl-naphthalen-1-carboxylic acid, 4-Propylnaphthalene-1-carboxylic acid, SCHEMBL6331460, CTK8C1149, DTXSID00741249, JCRVNKIHIKWKKC-UHFFFAOYSA-N, 1596AA, ANW-65966, MFCD21337852, ZINC79045589, 1-Naphthalenecarboxylic acid, 4-propyl-, AK-87298, DA-17682, DS-18310, AJ-122951, AX8236303, TC-154711, FT-0766708, ST24043997, C14H14O2,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.099g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.264g/mol
Monoisotopic Mass	214.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

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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