AG002KJA

2100-31-4 | Benzoic acid, 2-propoxy-

AG002KJA

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CAS Number	2100-31-4
Catalog Number	AG002KJA(AGN-PC-0BWX1X)
Chemical Name	Benzoic acid, 2-propoxy-
IUPAC Name	2-propoxybenzoic acid
InChI	InChI=1S/C10H12O3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	OXOWWPXTTOCKKU-UHFFFAOYSA-N
MDL Number	MFCD01075687
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(O)c1ccccc1(OCCC)
Synonyms	2-Propoxybenzoic acid, 2100-31-4, 2-n-propoxybenzoic acid, O-propoxybenzoic acid, BENZOIC ACID, 2-PROPOXY-, 2-Propoxy benzoic acid, Salicylic Acid Propyl Ether, AKOS BBB/270, RARECHEM AL BO 0876, OXOWWPXTTOCKKU-UHFFFAOYSA-N, MFCD01075687, AK114260, propyloxybenzoic acid, 2-propoxybenzoic aci, o-propoxy benzoic acid, 2-n-PropoxybenzoicAcid, 2-Propoxy-benzoic Acid, AC1LBO1A, AC1Q5UAO, 2-Propoxybenzoic acid #, 2-(propyloxy)benzoic acid, ACMC-1CE48, AKOS BB501, Salicylic acid, propyl ether, KSC493A7T, SCHEMBL124950, ARONIS023696, Jsp004306, CTK3J3079, 2-n-propoxybenzoic acid, 98+%, BBB/270, DTXSID70337153, KS-00000CG8, ZINC2572613, ZX-AS003509, 2-N-Propoxybenzoic acid, AldrichCPR, ANW-24308, SBB063731, AKOS000103128, AC-1276, ACM2100314, AS01071, BBV-036134, GS-6769, MCULE-4040231132, RP24154, RTC-071214, TRA0021273, AJ-42055, AN-15102, BC220602, CC-11886, OR350317, SC-27285, SY005091, AB0008391, AB1000344, AX8012048, DB-001233, ST2410203, TC-071214, FT-0613380, P1694, ST50407453, MFCD01075687 (98%), M-2614, 100P314, C-06690, I01-2757, J-510292, null, 2-Propoxybenzoicacid, C10H12O3, AR-1E5194, CID539215, 2-Ethoxy-5-(tributylstannyl)pyrimidine, 2-Propoxybenzoic acid, 99% - 25G 25g, 21106-18-3,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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

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