AG003M05

2438-05-3 | 4-Propylbenzoic acid

AG003M05

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CAS Number	2438-05-3
Catalog Number	AG003M05(AGN-PC-0JMPKM)
Chemical Name	4-Propylbenzoic acid
IUPAC Name	4-propylbenzoic acid
InChI	InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChI Key	ATZHGRNFEFVDDJ-UHFFFAOYSA-N
MDL Number	MFCD00013996
Molecular Formula	C10H12O2
Molecular Weight	164.2011
NSC Number	168993
SMILES	CCCc1ccc(cc1)C(=O)O
UNII	3P1V85E45O
Synonyms	4-Propylbenzoic acid, 4-n-Propylbenzoic acid, 2438-05-3, Benzoic acid, 4-propyl-, P-PROPYLBENZOIC ACID, 4-Propyl-benzoic acid, p-n-Propyl benzoic acid, MFCD00013996, 4-Propylbenzoic acid, 97%, UNII-3P1V85E45O, ATZHGRNFEFVDDJ-UHFFFAOYSA-N, 3P1V85E45O, NCGC00166226-01, 4-Propylbenzoicacid, p-Propyl benzoic acid, NSC168993, 4-Propylbenzolic acid, PubChem1348, 4-propyl benzoic acid, p-n-propylbenzoic acid, parapropyl benzoic acid, 4-Propylbenzoic acid #, 4-n-propyl benzoic acid, AC1L3AYF, AC1Q2UWE, AC1Q2UWF, ACMC-1CLH5, DSSTox_CID_26564, DSSTox_RID_81723, DSSTox_GSID_46564, SCHEMBL44017, CHEMBL116159, DTXSID5046564, 4-n-propylbenzoic acid, 98+%, CTK1A7533, KS-00000UPX, 4-propylbenzoicacid,3bac10h12o2, ZINC157748, Tox21_112358, ANW-13735, SBB006558, AKOS000153018, MCULE-6037987311, NSC-168993, RP02366, RTR-011260, TF10427, VZ29701, NCGC00166226-02, AC-18362, AJ-15099, AK116594, AS-10796, SC-47038, SY039321, CAS-2438-05-3, DB-046428, ST2411600, TR-011260, FT-0619438, P0945, ST50405113, EN300-54920, MFCD00013996 (97%), A-8179, SR-01000944760, J-015477, J-515971, SR-01000944760-1, F0001-0829, 8ZU, Bis[[4-[4-(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] dioxalate oxalate, Malachite Green Oxalate, 3,4,5-Trifluorobenzoic acid, TIMTEC-BB SBB006558, C10H12O2, CID137601, C.I. 42000, 4-Propylbenzoic acid, 97% - 100G 100g, 121602-93-5,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.204g/mol
Monoisotopic Mass	164.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number