AG003UYP

4271-99-2 | Trans-aconitic acid trimethyl ester

AG003UYP

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	4271-99-2
Catalog Number	AG003UYP(AGN-PC-0WH2K0)
Chemical Name	Trans-aconitic acid trimethyl ester
IUPAC Name	trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate
InChI	InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4+
InChI Key	DZAIBGWGBBQGPZ-GQCTYLIASA-N
MDL Number	MFCD00059304
Molecular Formula	C9H12O6
Molecular Weight	216.1880
SMILES	O=C(OC)/C=C(CC(OC)=O)/C(OC)=O
Synonyms	trans-Aconitic Acid Trimethyl Ester, 4271-99-2, Trimethyl aconitate, Trimethyl (E)-Aconitate, 20820-77-3, trans-trimethylaconitate, AC1O45BF, Aconitic Acid Trimethyl Ester, CHEMBL4103358, ZINC4758828, MFCD00059304, NSC 67343, ACM4271992, ACM20820773, (E)-trimethyl prop-1-ene-1,2,3-tricarboxylate, trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate, 1-Propene-1,2,3-tricarboxylic Acid 1,2,3-Trimethyl Ester, (1E)-1-Propene-1,2,3-tricarboxylic Acid 1,2,3-Trimethyl Ester, Trimethyl trans-aconitate, TRANS-ACONITICACIDTRIMETHYLESTER, CID6376716, 1-Propene-1,2,3-tricarboxylicacid,trimethylester, 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester, (E)-,

Complexity	291
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	216.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.189g/mol
Monoisotopic Mass	216.063g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

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