AG003TJ6

556-08-1 | 4-Acetamidobenzoic Acid

AG003TJ6

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CAS Number	556-08-1
Catalog Number	AG003TJ6(AGN-PC-0JKEKT)
Chemical Name	4-Acetamidobenzoic Acid
EC Number	209-114-7
IUPAC Name	4-acetamidobenzoic acid
InChI	InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChI Key	QCXJEYYXVJIFCE-UHFFFAOYSA-N
MDL Number	MFCD00002534
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	CC(=O)NC1=CC=C(C=C1)C(O)=O
UNII	04Z20NMK31
Synonyms	4-acetamidobenzoic acid, 4-acetamidobenzoic acid, sodium salt, Acedoben, acetyl-p-aminobenzoic acid, Fibroderm, p-acetamidobenzoic acid, PACBA, para-acetamidobenzoic acid, 4-Acetamidobenzoic acid, 556-08-1, Acedoben, 4-(Acetylamino)benzoic acid, p-Acetamidobenzoic acid, p-Acetylamino benzoic acid, 4-Carboxyacetanilide, 4-Acetylaminobenzoic acid, Benzoic acid, 4-(acetylamino)-, p-Acetoaminobenzoic acid, p-Acetaminobenzoic acid, N-Acetyl-p-aminobenzoic acid, PAAB, Acedobene, Acedobenum, p-Acetylaminobenzoic acid, N-Acetyl-PABA, Para Acetamido Benzoic Acid, Acedoben [INN-Spanish], Acedobene [INN-French], Acedobenum [INN-Latin], Acedoben [INN], 4'-Carboxyacetanilide, Benzoic acid, p-acetamido-, NSC 4002, UNII-04Z20NMK31, EINECS 209-114-7, AI3-16506, CHEBI:46171, QCXJEYYXVJIFCE-UHFFFAOYSA-N, 04Z20NMK31, MFCD00002534, 4 -Carboxyacetanilide, NCGC00090820-01, DSSTox_CID_4392, DSSTox_RID_77385, DSSTox_GSID_24392, 4-Acetamidobenzoic acid, 99+%, CAS-556-08-1, 4-Acetamidobenzoicacid, PAcBA, p-Carboxyacetanilide, 4-'Carboxyacetanilide, PubChem23823, 4-acetamido benzoic acid, 4-acetamido-benzoic acid, AC1L2DSH, para-acetamidobenzoic acid, 4-Acetylamino-benzoic acid, AC1Q1KQ5, p-(acetylamino)benzoic acid, Benzoic acid, 4-acetamido-, NCIOpen2_002351, NCIOpen2_002391, NCIOpen2_002646, NCIOpen2_002848, NCIOpen2_007737, NCIOpen2_007777, Oprea1_415903, SCHEMBL24320, ZINC226, KSC489O4H, MLS002415768, 4-Acetamidobenzoic acid (4), 4-Acetamidobenzoic acid, 98%, ACMC-1B203, CHEMBL112687, p-Acetaminophenylcarboxylic acid, DTXSID5024392, CTK3I9743, KS-00000JHQ, NSC4002, BDBM239165, HMS1715D16, HMS2269G12, HMS3264F12, Pharmakon1600-01502412, ACT08041, Benzoic acid, p-acetamido- (8CI), NSC-4002, Para-acetamidobenzoic acid (PAcBA), STR03473, Tox21_111029, Tox21_200330, 4-(acetylamino)benzenecarboxylic acid, ANW-32350, NSC760374, SBB037858, STL137727, N-(4-Carboxyphenyl)acetic acid amide, AKOS000104745, Tox21_111029_1, CCG-213838, DB04500, LS-1367, MCULE-9560339064, NE10206, NSC-760374, RL04098, RTR-019600, TRA0059496, NCGC00090820-02, NCGC00090820-03, NCGC00257884-01, AJ-07870, AK111059, AN-45896, SMR000112099, ST079293, SY028998, TR-019600, A0013, FT-0617378, ST24023261, MFCD00002534 (98%), p-Acetamidobenzoic acidp-Acetaminobenzoic acid, 8N-772, 11031-EP2269610A2, 11031-EP2270002A1, 11031-EP2277848A1, 11031-EP2289510A1, 11031-EP2316457A1, 11031-EP2316458A1, 11031-EP2316825A1, 11031-EP2316826A1, 11031-EP2316827A1, 11031-EP2316828A1, AB00375897_07, SR-01000868873, SR-01000868873-2, W-105553, Z57042001, F9995-0288, 4'-Carboxyacetanilide C9H9NO3 179.18 ca 261 degrees dec. 556-08-1 209-114-7 MFCD00002534 Y, InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13, p-Acetylaminobenzoicacid, C9H9NO3, C9-H9-N-O3, CID19266, ACN-043197, 4-Acetamidobenzoic acid, 99% - 100G 100g, TYZ,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number