AG0034P7

1087-21-4 | 1,3-bis(prop-2-en-1-yl) benzene-1,3-dicarboxylate

AG0034P7

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CAS Number	1087-21-4
Catalog Number	AG0034P7(AGN-PC-0JL71E)
Chemical Name	1,3-bis(prop-2-en-1-yl) benzene-1,3-dicarboxylate
EC Number	214-122-9
IUPAC Name	bis(prop-2-enyl) benzene-1,3-dicarboxylate
InChI	InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2
InChI Key	OOORLLSLMPBSPT-UHFFFAOYSA-N
MDL Number	MFCD00048174
Molecular Formula	C14H14O4
Molecular Weight	246.2586
NSC Number	6098
SMILES	C(C1=CC(C(=O)OCC=C)=CC=C1)(=O)OCC=C
Synonyms	Diallyl isophthalate, 1087-21-4, Di-2-propenyl isophthalate, 1,3-Benzenedicarboxylic acid, di-2-propenyl ester, Dappu 100, Isophthalic acid, diallyl ester, Isophthalic Acid Diallyl Ester, NSC 6098, EINECS 214-122-9, BRN 2055011, AI3-16904, OOORLLSLMPBSPT-UHFFFAOYSA-N, 1,3-Benzenedicarboxylic acid, 1,3-di-2-propen-1-yl ester, Isophthalic acid, di-(2-propenyl) ester, Isophthalic acid, diallyl ester (6CI,7CI,8CI), diallylm-phthalate, Diallylisophthalate, Dapon M, diallyl m-phthalate, dappu100, Diallyl iso-phthalate, Isophthalic acid diallyl, di-2-propenylisophthalate, SCHEMBL157805, isophtalic acid, diallyl ester, AC1L24T8, WLN: 1U2OVR CVO2U1, DTXSID7051559, CTK4A6172, NSC6098, diallyl benzene-1,3-dicarboxylate, ACMC-209913, NSC-6098, ZINC1693277, 6194AF, ANW-15973, MFCD00048174, AKOS015915996, AN-19689, CJ-28278, LS-29774, ST060247, DB-040841, TR-001987, bis(prop-2-enyl) benzene-1,3-dicarboxylate, FT-0624601, I0450, 1,3-benzenedicarboxylicacid,di-2-propenylester, prop-2-enyl 3-(prop-2-enyloxycarbonyl)benzoate, 1,3-bis(prop-2-en-1-yl) benzene-1,3-dicarboxylate, I14-53320, 1,3-Benzenedicarboxylicacid, 1,3-di-2-propen-1-yl ester, InChI=1/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H, 1, di-2-propenyl ester, C14H14O4, CID66183, C14-H14-O4, 4-09-00-03295 (Beilstein Handbook Reference),

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.089g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.262g/mol
Monoisotopic Mass	246.089g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
UN Code

Certificate of Analysis

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