AG00CMPP

39111-94-9 | 3-Quinolin-2-ylpropanoic acid

AG00CMPP

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CAS Number	39111-94-9
Catalog Number	AG00CMPP(AGN-PC-0JNYJK)
Chemical Name	3-Quinolin-2-ylpropanoic acid
IUPAC Name	3-quinolin-2-ylpropanoic acid
InChI	InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChI Key	PBXJDATXARPDPW-UHFFFAOYSA-N
MDL Number	MFCD06655354
Molecular Formula	C12H11NO2
Molecular Weight	201.2212
NSC Number	99366
SMILES	N1=C(C=CC2=CC=CC=C12)CCC(=O)O
Synonyms	3-(quinolin-2-yl)propanoic acid, 2-quinolinepropanoic acid, 39111-94-9, 3-quinolin-2-ylpropanoic acid, 2-Quinolinepropionic acid, quinolinepropanoic acid, 2-Quinolinepropanoicacid, AC1Q5VWP, AC1L6BM5, AC1Q75AD, SCHEMBL547194, CTK1C2792, DTXSID80295033, HMS1781B16, NSC99366, ZINC1654190, MFCD06655354, NSC-99366, AKOS008987597, MCULE-7965912465, NE26384, BS-13993, 3-quinolin-2-ylpropanoic acid, AldrichCPR, EN300-12576, Z85922627, EYY, AR-1E5386, CID264313, ACN-042151, 39494-08-1,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.225g/mol
Monoisotopic Mass	201.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number