AG007PRR

216144-91-1 | 3-(trans-2-Carboxyvinyl)phenylboronic acid

AG007PRR

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CAS Number	216144-91-1
Catalog Number	AG007PRR(AGN-PC-0KVHF5)
Chemical Name	3-(trans-2-Carboxyvinyl)phenylboronic acid
IUPAC Name	(E)-3-(3-boronophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+
InChI Key	QCHIEOGZUMAQKI-SNAWJCMRSA-N
MDL Number	MFCD01075738
Molecular Formula	C9H9BO4
Molecular Weight	191.9764
SMILES	O=C(O)/C=C/C1=CC=CC(B(O)O)=C1
Synonyms	216144-91-1, 3-(2-CARBOXYVINYL)BENZENEBORONIC ACID, (E)-3-(3-Boronophenyl)acrylic acid, 3-Boronocinnamic acid, 3-(2-Carboxyvinyl)phenylboronic acid, 3-(trans-2-Carboxyvinyl)phenylboronic acid, 3-(3-boronophenyl)acrylic acid, CHEMBL140747, 3-phenylpropylester boronic acid, MFCD01075738, 843662-48-6, AC1NYZMJ, SCHEMBL856015, QCHIEOGZUMAQKI-SNAWJCMRSA-N, ZX-AT001312, BDBM50067900, AKOS004116399, ZINC169747023, AB08184, AM88111, FCH1313059, FCH3689387, OR13173, PS-9453, RTR-010147, [3-(2-Carboxyvinyl)phenyl]boronic acid, 2-Propenoic acid, 3-(3-boronophenyl)-, NCGC00092018-01, 3-[3-(dihydroxyboryl)phenyl]acrylic acid, ACM216144911, 3 - (2 - Carboxyvinyl)phenylboronic acid, (E)-3-(3-boronophenyl)-2-propenoic acid, (E)-3-(3-boronophenyl)prop-2-enoic acid, 3-[-(E)-2-Carboxyvinyl]benzeneboronic aci, AX8007653, TC-164214, TL8007162, TR-010147, 3-[-(E)-2-Carboxyvinyl]benzeneboronic acid, CS-0060383, X0623, A-9013, (2E)-3-[3-(dihydroxyboryl)phenyl]acrylic acid, 3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, 2-Propenoic acid, 3-(3-boronophenyl)-, (2E)-, 3-(2-Carboxyvinyl)benzeneboronic acid, AldrichCPR, A815526, (E)-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, I14-108720, 3- BENZENEBORONICACID, C9H9BO4, 3-(3-boronophenyl)prop-2-enoic Acid, ACN-042039, CID5844876, 2-Propenoicacid,3-(3-boronophenyl)-,(2E)-,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	192.059g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	191.977g/mol
Monoisotopic Mass	192.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number