AG00D8PJ

4653-13-8 | 4-Naphthalen-1-yl-4-oxo-butyric acid

AG00D8PJ

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CAS Number	4653-13-8
Catalog Number	AG00D8PJ(AGN-PC-0RUG63)
Chemical Name	4-Naphthalen-1-yl-4-oxo-butyric acid
IUPAC Name	4-naphthalen-1-yl-4-oxobutanoic acid
InChI	InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)
InChI Key	YNEXYDHOGAIPHO-UHFFFAOYSA-N
MDL Number	MFCD00086599
Molecular Formula	C14H12O3
Molecular Weight	228.2433
NSC Number	408067
SMILES	OC(CCC(C1=C2C(C=CC=C2)=CC=C1)=O)=O
Synonyms	4653-13-8, 4-Naphthalen-1-yl-4-oxo-butyric acid, 4-(1-Naphthyl)-4-oxobutanoic acid, 4-(naphthalen-1-yl)-4-oxobutanoic acid, 4-(1-Naphthyl)-4-oxobutyric acid, 4-naphthalen-1-yl-4-oxobutanoic acid, YNEXYDHOGAIPHO-UHFFFAOYSA-N, EC-000.1433, EN300-36540, AH-357/03518016, 4-naphthyl-4-oxobutanoic acid, NSC408067, AC1L5MPF, AC1Q5VPO, Oprea1_410006, CBDivE_004831, 3(1-naphthoyl)propionic acid, MLS000052954, SCHEMBL818033, 3-(1-naphthoyl)propionic acid, AC1Q754I, CHEMBL1530549, 3-(1-naph thoyl)propionic acid, CTK4I9435, 3-(1-Naphthoyl)-propionic Acid, DTXSID10298890, HMS2382M17, ZINC236510, BCP26392, ZX-CM015137, 4-Oxo-4-(1-naphthyl)butyric acid, 7061b, CN-485, MFCD00086599, SBB097285, STK202169, 4-(1-naphthyl)-4-oxo-butanoic acid, AKOS001714210, 1-Naphthalenebutanoic acid, gamma-oxo-, AC-6634, ACM4653138, AN-9806, MCULE-2693981036, NSC-408067, SDCCGMLS-0034942.P002, 4-(1-Naphthyl)-4-oxobutanoic acid #, NSC 408067., Butanoic acid, 4-(1-naphthyl)-4-oxo-, 1-(3-CARBOXYPROPIONYL)NAPHTHALENE, 1-Naphthalenebutanoic acid, .gamma.-oxo-, AJ-18205, AS-37471, CC-20001, SC-17072, SMR000068911, AB0075862, AX8015311, BC4160854, DB-051385, TC-070742, BB 0221135, FT-0083603, FT-0635381, ST50919247, 4 - (1 - Naphthyl) - 4 - oxobutanoic acid, W-6440, C-13070, SR-01000391937, SR-01000391937-1, I14-20256, Z398513346, |A-Oxo-1-naphthalenebutanoic Acid, AR-1F5643, CID277786, 4-Naphthalen-1-yl-4-oxo-butyricacid, 473-99-4,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.247g/mol
Monoisotopic Mass	228.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number