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1866-39-3 | 3-(p-Tolyl)acrylic acid

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CAS Number	1866-39-3
Catalog Number	AG003LRQ(AGN-PC-0JKCJ2)
Chemical Name	3-(p-Tolyl)acrylic acid
EC Number	217-479-9
IUPAC Name	(E)-3-(4-methylphenyl)prop-2-enoic acid
InChI	InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
InChI Key	RURHILYUWQEGOS-VOTSOKGWSA-N
MDL Number	MFCD00002697
Molecular Formula	C10H10O2
Molecular Weight	162.1852
SMILES	CC1=CC=C(C=CC(O)=O)C=C1
Synonyms	4-Methylcinnamic acid, 1866-39-3, 940-61-4, p-Methylcinnamic acid, (2e)-3-(4-methylphenyl)acrylic acid, p-Methyl cinnamic acid, 3-(p-Tolyl)acrylic acid, (2E)-3-(4-methylphenyl)prop-2-enoic acid, (E)-3-(p-Tolyl)acrylic acid, MFCD00002697, 3-(4-methylphenyl)prop-2-enoic acid, (E)-3-(4-methylphenyl)-2-propenoic acid, RURHILYUWQEGOS-VOTSOKGWSA-N, 3-(4-METHYLPHENYL)-2-PROPENOIC ACID, (~{E})-3-(4-methylphenyl)prop-2-enoic acid, trans-p-Methylcinnamic acid, 4-methyl-cinnamic acid, 3-p-Tolyl-acrylic acid, (e)-3-p-tolylacrylic acid, EINECS 217-479-9, (E)-3-(4-methylphenyl)prop-2-enoic acid, NSC 66272, PubChem8253, 3-p-tolylacrylic acid, AC1Q5QFE, Cinnamic acid, p-methyl-, Methyl trans-cinnamic acid, 4-Methylbenzeneacrylic acid, SCHEMBL80446, (E)-3-p-tolyl-acrylic acid, AC1LE843, AC1Q5T93, ARONIS003023, CHEMBL450836, Jsp003823, HMS1408G02, ZINC145556, ALBB-011725, NSC66272, NSC98545, NSC98546, STR04643, BBL037011, NSC-66272, NSC-98545, NSC-98546, SBB015822, STK057700, (E)-3-(p-tolyl)prop-2-enoic acid, AKOS000263781, AC-2401, CS-W016115, PS-4043, RP17389, RTR-008624, IDI1_007649, NCGC00339102-01, AJ-12533, AK-77440, AN-13983, AS-11993, SC-01993, AB0205236, TR-035127, TR-048042, M0715, ST24028348, ST45039823, (2E)-3-(4-Methylphenyl)-2-propenoic acid #, W-6176, 4-Methylcinnamic acid, 99%, predominantly trans, 4-Methylcinnamic acid, predominantly trans, 99%, AB01314089-03, 2-Propenoic acid, 3-(4-methylphenyl)-, (2E)-, 866M393, AE-641/00135025, I01-3337, J-650090, W-107779, F3145-2479, 8MB, 3-(4-methylphenyl)acrylic acid, KST-1A9118, Cinnamic acid, p-methyl-, (E)-, AR-1A2323, CID731767, C10-H10-O2, 2-Propenoic acid, 3-(4-methylphenyl)-, M105, 2-Propenoic acid, 3-(4-methylphenyl)-, (E)-, 6-methylpyridine-2-boronic acid, mono-lithium salt, 4-Methylcinnamic acid, 99%, predominantly trans - 100G 100g, 1256345-49-9, 95356-31-3, 939-57-1,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	162.068g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.188g/mol
Monoisotopic Mass	162.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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