AG002SNP

26311-45-5 | Benzoic acid, 4-pentyl-

AG002SNP

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	26311-45-5
Catalog Number	AG002SNP(AGN-PC-0JKN6M)
Chemical Name	Benzoic acid, 4-pentyl-
EC Number	247-607-9
IUPAC Name	4-pentylbenzoic acid
InChI	InChI=1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14)
InChI Key	CWYNKKGQJYAHQG-UHFFFAOYSA-N
MDL Number	MFCD00002572
Molecular Formula	C12H16O2
Molecular Weight	192.2542
NSC Number	169024
SMILES	O=C(O)C1=CC=C(CCCCC)C=C1
UNII	ET3KL92DDG
Synonyms	4-Pentylbenzoic acid, 26311-45-5, 4-n-Pentylbenzoic acid, Benzoic acid, 4-pentyl-, p-Pentylbenzoic acid, 4-Amylbenzoic acid, p-Amylbenzoic acid, Para-Pentylbenzoic acid, NSC 169024, BENZOIC ACID, p-PENTYL-, 4-pentyl benzoic acid, p-n-pentylbenzoic acid, EINECS 247-607-9, UNII-ET3KL92DDG, ET3KL92DDG, BRN 2044798, CWYNKKGQJYAHQG-UHFFFAOYSA-N, MFCD00002572, FR-0379, W-107181, 4-Pentylbenzoicacid, p-Pentyl benzoic acid, p-n-Amylbenzoic acid, 4-n-amylbenzoic acid, 4-pentyl-benzoic acid, PubChem11256, p-n-Pentyl benzoic acid, ACMC-1CP7U, 4-(n-pentyl)benzoic acid, AC1L1PP8, 4-Pentylbenzoic acid, 99%, 3-09-00-02551 (Beilstein Handbook Reference), KSC203O9B, SCHEMBL290118, Jsp005175, DTXSID6067200, CTK1A3790, ZINC1674008, ZX-AT006175, ANW-25968, NSC169024, SBB007808, AKOS002685614, MCULE-7549965552, NSC-169024, OR21922, PS-8327, RP03854, RTR-036306, TRA0034243, VZ29491, KS-00000W02, AC-18364, AJ-29347, AK116601, AN-25452, CC-20199, LS-38112, SC-62238, SY036128, ACM26311455|1, AX8000878, BB0295878, TR-036306, A0741, FT-0638595, FT-0654606, ST24032830, ST50406501, MFCD00002572 (97%), K-6830, C-08420, I01-3529, I01-6124, C12H16O2, CID33479, C12-H16-O2, 4-Pentylbenzoic acid, 98% - 25G 25g,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number