AG0036LJ

6954-70-7 | 2,5-Dimethyl-4-nitrobenzoic acid

AG0036LJ

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	6954-70-7
Catalog Number	AG0036LJ(AGN-PC-0JOL5I)
Chemical Name	2,5-Dimethyl-4-nitrobenzoic acid
IUPAC Name	2,5-dimethyl-4-nitrobenzoic acid
InChI	InChI=1S/C9H9NO4/c1-5-4-8(10(13)14)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key	WQJLIVQRJOLTMH-UHFFFAOYSA-N
MDL Number	MFCD00086153
Molecular Formula	C9H9NO4
Molecular Weight	195.1721
NSC Number	67713
SMILES	CC1=C(C(=O)O)C=C(C(=C1)[N+](=O)[O-])C
Synonyms	2,5-dimethyl-4-nitrobenzoic acid, 6954-70-7, 2,5-dimethyl-4-nitro-benzoic acid, Benzoic acid, 2,5-dimethyl-4-nitro-, NSC67713, AC1L6OEZ, AC1Q2GSQ, AC1Q5AGX, NCIOpen2_000264, SCHEMBL272650, CTK5D0391, DTXSID20290269, WQJLIVQRJOLTMH-UHFFFAOYSA-N, ZINC1694604, MFCD00086153, NSC-67713, AKOS027363432, AK368601, DS-13026, AR-1D4434, CID249416, 86944-25-4,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.174g/mol
Monoisotopic Mass	195.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number