AG00BYU5

3368-21-6 | 2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-

AG00BYU5

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CAS Number	3368-21-6
Catalog Number	AG00BYU5(AGN-PC-0JLAUC)
Chemical Name	2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-
EC Number	222-138-2
IUPAC Name	(E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid
InChI	InChI=1S/C12H14O2/c1-9(2)11-6-3-10(4-7-11)5-8-12(13)14/h3-9H,1-2H3,(H,13,14)/b8-5+
InChI Key	SJDOOXOUSJDYFE-VMPITWQZSA-N
MDL Number	MFCD00016544
Molecular Formula	C12H14O2
Molecular Weight	190.2384
NSC Number	216
SMILES	O=C(O)/C=C/C1=CC=C(C(C)C)C=C1
Synonyms	4-Isopropylcinnamic acid, 3368-21-6, 3-(4-isopropylphenyl)acrylic acid, p-Isopropylcinnamic acid, (2E)-3-(4-isopropylphenyl)acrylic acid, Cinnamic acid, p-isopropyl-, 2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (E)-3-(4-isopropylphenyl)acrylic acid, AI3-23710, MLS000806999, SJDOOXOUSJDYFE-VMPITWQZSA-N, (2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoic acid, MFCD00016544, SMR000414813, (E)-3-(4-Isopropyl-phenyl)-acrylic acid, 2-Propenoic acid, 3-(4-(1-methylethyl)phenyl)-, (2E)-3-[4-(methylethyl)phenyl]prop-2-enoic acid, NSC 216, EINECS 222-138-2, 4-Isopropylzimtsaure, AC1LEXTQ, PubChem19624, (E)-3-(4-propan-2-ylphenyl)prop-2-enoic acid, isopropylphenylacrylicacid, AC1Q1OJJ, AC1Q1ONA, p-iso-propylcinnamic acid, Opera_ID_1705, 4-iso-propylcinnamic acid, AC1Q1P0L, SCHEMBL819055, trans-4-Isopropylcinnamic acid, NSC216, SCHEMBL1711780, 4-isopropyl-trans-cinnamic acid, CHEMBL1391961, NSC-216, HMS1577J21, HMS2753N04, ZINC120434, ACT05910, ALBB-011727, 0620AE, BBL012068, SBB015388, STK083676, AKOS000263464, AKOS025310075, RP11270, RTR-036526, 3-(4-isopropylphenyl)prop-2-enoic acid, NCGC00246519-01, AJ-11696, EN000778, ST078297, 3-[4-(1-Methylethyl)phenyl]propenoic acid, ST2404779, TR-036526, R1326, (E)-3-(4-isopropylphenyl)prop-2-enoic acid, 4-Isopropylcinnamic Acid, Predominantly Trans, EN300-10955, (2E)-3-(4-isopropylphenyl)prop-2-enoic acid, 3-[4-(propan-2-yl)phenyl]prop-2-enoic acid, 11R-0617, J-501923, S04-0046, BRD-K99320527-001-10-2, F3095-3193, 2-Propenoic acid, 3-[4-(1-methylethyl)phenyl]-, (2E)-, KST-1A3953, C12H14O2, AR-1A2319, CID719753, 3-(4-Isopropyl-phenyl)-acrylic acid, ACN-042042, C12-H14-O2, 3-(4-propan-2-ylphenyl)prop-2-enoic acid, 116373-36-5, 33906-22-8,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	190.099g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330-P501
UN Code

Certificate of Analysis

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