AG00DAWC

4843-43-0 | 3-(2-naphthyl)prop-2-ynoic acid

AG00DAWC

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CAS Number	4843-43-0
Catalog Number	AG00DAWC(AGN-PC-0KLW41)
Chemical Name	3-(2-naphthyl)prop-2-ynoic acid
IUPAC Name	3-naphthalen-2-ylprop-2-ynoic acid
InChI	InChI=1S/C13H8O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,(H,14,15)
InChI Key	XWMRRMQMFPBLTP-UHFFFAOYSA-N
MDL Number	MFCD00181402
Molecular Formula	C13H8O2
Molecular Weight	196.2014
SMILES	O=C(O)C#CC1=CC=C2C=CC=CC2=C1
Synonyms	3-(2-Naphthyl)prop-2-ynoic acid, 4843-43-0, CHEMBRDG-BB 5217434, 3-(Naphthalen-2-yl)propiolic acid, 3-(naphthalen-2-yl)prop-2-ynoic acid, CBDivE_004577, AC1MDC3P, 2-naphthyl-propiolic acid, (2-Naphthyl)propiolic acid, Oprea1_492266, SCHEMBL11809459, CTK4J0810, DTXSID90385398, 3-(2-Naphthyl)-2-propynoic acid, CCG-2367, ZINC3681424, 3-naphthalen-2-ylprop-2-ynoic acid, MFCD00181402, STK395017, AKOS005433537, MCULE-1928584479, AJ-45325, DA-18465, FT-0764707, ST50867438, 3-(2-Naphthyl)prop-2-ynoic acid, AldrichCPR, W-6630, CID2834388,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.052g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.205g/mol
Monoisotopic Mass	196.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number