AG0033QC

1204-06-4 | 3-(1H-Indol-3-yl)acrylic acid

AG0033QC

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CAS Number	1204-06-4
Catalog Number	AG0033QC(AGN-PC-0JKBT3)
Chemical Name	3-(1H-Indol-3-yl)acrylic acid
EC Number	214-872-7
IUPAC Name	(E)-3-(1H-indol-3-yl)prop-2-enoic acid
InChI	InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
InChI Key	PLVPPLCLBIEYEA-AATRIKPKSA-N
MDL Number	MFCD00005633
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
SMILES	O=C(O)/C=C/C1=CNC2=C1C=CC=C2
UNII	83X500J040
Synonyms	3-indolylacrylic acid, indole acrylic acid, indoleacrylic acid, indoleacrylic acid, (E)-isomer, indoleacrylic acid, sodium salt, 3-Indoleacrylic acid, 1204-06-4, 29953-71-7, trans-3-Indoleacrylic acid, INDOLE-3-ACRYLIC ACID, 3-Indolylacrylic acid, 3-(1H-Indol-3-yl)acrylic acid, Indole-3beta-acrylic acid, Indole-3-crylic acid, trans-3-(1H-Indol-3-yl)acrylic acid, Indoleacrylic acid (VAN), 3-(3-Indolyl)acrylic acid, (2E)-3-(1H-indol-3-yl)prop-2-enoic acid, trans-beta-Indoleacrylic acid, 3-(Indol-3-yl)acrylic acid, (E)-3-(1H-indol-3-yl)acrylic acid, (E)-3-(1H-indol-3-yl)prop-2-enoic acid, UNII-83X500J040, EINECS 214-872-7, MFCD00005633, NSC 29428, NSC 137806, BRN 0006317, 2-Propenoic acid, 3-(1-H-indol-3-yl), CHEMBL445966, PLVPPLCLBIEYEA-AATRIKPKSA-N, trans-Indole-3-acrylic acid, 2-Propenoic acid, 3-(1H-indol-3-yl)-, (E)-, 3-indoleacrylate, 3-(1H-Indol-3-yl)-2-propenoic acid, (2E)-3-(1H-indol-3-yl)acrylic acid, (E)-3-(1H-indol-3-yl)-acrylic acid, 83X500J040, I-1900, I-1910, I-1920, 2-Propenoic acid, 3-(1H-indol-3-yl)-, J-640143, W-108477, (2E)-3-indol-3-ylprop-2-enoic acid, 2-beta-indoleacrylic acid, 3-beta-indoleacrylic acid, 2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-, Indole-3-acrylic acid, (E)-, PubChem7279, PubChem20685, AC1NT9BK, trans 3-Indoleacrylic acid, 1H-Indole-3-acrylic acid, AC1Q71IY, 3-Indoleacrylic acid, powder, 5-22-03-00249 (Beilstein Handbook Reference), trans-beta-Indole acrylic acid, Jsp005666, DTXSID90184060, CHEBI:132244, trans-3-Indoleacrylic acid, 98%, ZINC155654, (E)-3-(indol-3-yl)acrylic acid, ALBB-006265, BCP26485, Indole-3-acrylic acid, 98.0%+, Indole-3-acrylic acid, 99.5%+, ZX-AN006071, ZX-AT004020, ZX-AT021067, BDBM50350299, SBB003692, STK502093, AKOS005145404, AC-7582, CCG-208234, FCH3418006, FCH5360511, OR10211, OR16454, PS-3908, ACM29953717, SMP2_000177, trans-3-(3-Indolyl)-2-propenoic acid, AJ-13600, AK-46641, AK-79420, BBV-34284106, BR-46641, LS-82240, M974, SC-26040, SC-58043, AX8013719, RT-001100, ST2410738, TC-060666, (E)-3-(1H-indol-3-yl)-2-propenoic acid, I0025, ST24050196, ST45026750, trans-3-(1H-Indol-3-yl)prop-2-enoic acid, C21283, S-2696, (2E)-3-(1H-Indol-3-yl)-2-propenoic acid #, 3-Indoleacrylic acid, purum, >=97.0% (HPLC), 953I717, A820124, 3-Indoleacrylic acid, BioReagent, >=98% (HPLC), I10-0086, I10-0341, J-800147, Indoleacrylic acid, indole acrylic acid, trans-3-Indoleacrylicacid, tetrahydro-2h-pyran-4-one, C11H9NO2, indoleacrylic acid, sodium salt, indoleacrylic acid, (E)-isomer, trans 3-(3-indolyl)propenoic acid, C11-H9-N-O2, 2-TERT-BUTYL-5-AMINOPYRIMIDINE, CID5375048, 3-(1H-indol-3-yl)prop-2-enoic acid, 3-Indoleacrylic acid, 98% - 1G 1g, 3-(1H-indol-3-yl)-2- propenoic acid, (2E)-3-(1H-indol-3-yl)prop-2-enoate, C001446, 1208-03-3, IAA,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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