AG001TXR

16323-43-6 | 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-

AG001TXR

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CAS Number	16323-43-6
Catalog Number	AG001TXR(AGN-PC-0CJK58)
Chemical Name	2-Propenoic acid, 3,3'-(1,4-phenylene)bis-
EC Number	240-399-0
IUPAC Name	(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI	InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+
InChI Key	AAFXQFIGKBLKMC-KQQUZDAGSA-N
MDL Number	MFCD00002698
Molecular Formula	C12H10O4
Molecular Weight	218.2054
NSC Number	133919
SMILES	O=C(O)/C=C/C1=CC=C(/C=C/C(O)=O)C=C1
UNII	0F7E4O8Q8Y
Synonyms	1,4-Benzenediacrylic acid, 16323-43-6, 1,4-Phenylenediacrylic acid, p-Phenylenediacrylic acid, p-Benzenediacrylic acid, UNII-0F7E4O8Q8Y, 0F7E4O8Q8Y, 3,3'-(1,4-Phenylene)bis-2-propenoic acid, MFCD00002698, 3,3'-(p-Phenylene)diacrylic acid, EINECS 240-399-0, NSC 133919, (2'e)-3,3'-benzene-1,4-diylbisprop-2-enoic acid, AC1LFSP6, AC1Q5RAN, AC1Q5RAO, 3,3'-benzene-1,4-diylbisprop-2-enoic acid, p-Phenylenebis(acrylic acid), SCHEMBL68395, AC1Q5T92, CHEMBL1499488, 4-(2-Carboxyvinyl)cinnamic acid, HMS1607O13, ZINC225518, 1,4-Phenylenediacrylic acid, 97%, LS-916, NSC133919, AKOS001584357, AKOS025293627, ACN-032224, GS-5905, NSC-133919, NCGC00091630-01, 3,3'-p-Phenylenebis[(E)-acrylic acid], AJ-94578, 2-Propenoic acid,3'-(1,4-phenylene)bis-, AX8013788, TC-172134, ST24036832, ST50307976, Phenylene)bis-2-propenoic acid, 3,3'-(1,4-, (2E,2'E)-3,3'-(1,4-phenylene)bisacrylic acid, SR-01000388955, J-010023, SR-01000388955-1, 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, (E,E)-, (2E)-3-[4-((1E)-2-carboxyvinyl)phenyl]prop-2-enoic acid, 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, (2E,2'E)-, 3-[4-(2-CARBOXYETH-1-EN-1-YL)PHENYL]PROP-2-ENOIC ACID, (2E)-3-{4-[(1E)-2-carboxyeth-1-en-1-yl]phenyl}prop-2-enoic acid, (E)-3-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]prop-2-enoic acid, KST-1A1875, 2-Propenoic acid, 3,3'-(1,4-phenylene)bis-, C12H10O4, AR-1A2333, AR-1E5185, AR-1E8571, CID759280, C12-H10-O4, E,E-1,4-phenylene-di-(2-ethenyl)carboxylic acid, 16400-32-1, 23713-85-1, 16400-63-8, 16639-92-2,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	218.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.208g/mol
Monoisotopic Mass	218.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number