AG0033T1

5600-62-4 | 4-(4-Nitrophenyl)butanoic acid

AG0033T1

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CAS Number	5600-62-4
Catalog Number	AG0033T1(AGN-PC-0JLS6Y)
Chemical Name	4-(4-Nitrophenyl)butanoic acid
EC Number	227-019-9
IUPAC Name	4-(4-nitrophenyl)butanoic acid
InChI	InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
InChI Key	WQMLUHZFRFCQDB-UHFFFAOYSA-N
MDL Number	MFCD00007387
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
NSC Number	78455
SMILES	[N+](=O)([O-])C1=CC=C(C=C1)CCCC(=O)O
Synonyms	4-(4-Nitrophenyl)butyric acid, 5600-62-4, 4-(4-Nitrophenyl)butanoic acid, 4-(4-Nitro-phenyl)-butyric acid, Benzenebutanoic acid, 4-nitro-, 4-(p-Nitrophenyl)butyric acid, 4-Nitrobenzenebutanoic acid, WQMLUHZFRFCQDB-UHFFFAOYSA-N, .gamma.-(p-Nitrophenyl)butyric acid, FR-2315, AE-641/04187024, 4-{4-nitrophenyl}butanoic acid, 4-(4-Nitrophenyl)butyricacid, NSC78455, EINECS 227-019-9, PubChem14186, 4-Nitrobenzenebutyric acid, ACMC-209xs8, AC1L2XZ6, AC1Q1ZB1, AC1Q75DN, 4-Nitro benzenebutanoic acid, Oprea1_361179, 4-NITROBENZENEBUTANOIC, Benzenebutanoic acid,4-nitro-, SCHEMBL135651, BEN659, CHEMBL2437108, CTK5A4471, DTXSID10204572, 4-(4-Nitrophenyl)butanoic acid #, ACT05135, ALBB-016789, ZINC4257835, ZX-AN015477, ZX-AT014949, ANW-48054, MFCD00007387, NSC-78455, OR2208, SBB008603, AKOS006039054, 4-(4-Nitrophenyl)butyric acid, 98%, AS06769, CS-W015167, MCULE-6175571640, VZ27823, AJ-49794, AS-11722, BR-43770, CC-16632, SC-25432, AB0006848, AX8011938, DB-052840, ST2405395, TR-037089, FT-0616660, FT-0616661, ST50319690, A18908, S-2800, C-10707, I04-3456, 4-nitrophenylbutanoic acid, C10H11NO4, CID79711, AR-1F6405, C10-H11-N-O4, ACN-054253, 3724-16-1,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

Lot Number