AG008R3H

1208-65-7 | 4-(TERT-BUTYL)CINNAMIC ACID

AG008R3H

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CAS Number	1208-65-7
Catalog Number	AG008R3H(AGN-PC-0JVHVS)
Chemical Name	4-(TERT-BUTYL)CINNAMIC ACID
IUPAC Name	(E)-3-(4-tert-butylphenyl)prop-2-enoic acid
InChI	InChI=1S/C13H16O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H,14,15)/b9-6+
InChI Key	QFSPZKLJQZSLQU-RMKNXTFCSA-N
MDL Number	MFCD00040719
Molecular Formula	C13H16O2
Molecular Weight	204.2649
SMILES	O=C(O)/C=C/C1=CC=C(C(C)(C)C)C=C1
Synonyms	4-(Tert-butyl)cinnamic acid, 1208-65-7, (2E)-3-(4-tert-butylphenyl)prop-2-enoic acid, 3-(4-tert-butylphenyl)prop-2-enoic Acid, 3-(4-tert-butylphenyl)acrylic acid, (E)-3-(4-tert-butylphenyl)acrylic acid, EN300-29382, (2E)-3-(4-TERT-BUTYLPHENYL)ACRYLIC ACID, 3-(4-(tert-Butyl)phenyl)acrylic acid, 3-[4-(tert-butyl)phenyl]acrylic acid, (2E)-3-[4-(tert-butyl)phenyl]prop-2-enoic acid, butylphenylacrylicacid, AC1LF8VO, AC1Q1LWV, AC1Q5RAP, SCHEMBL818742, SCHEMBL846833, 4-tert-butyl-trans-cinnamic acid, QFSPZKLJQZSLQU-RMKNXTFCSA-N, ZINC131513, 4-TERT.-BUTYLCINNAMIC ACID, ALBB-011728, BBL036958, MFCD00040719, para-tert.-butyl-trans-cinnamic acid, SBB002374, STL507859, (e)-3-(4-t-butylphenyl)acrylic acid, 3-(4-tert-Butylphenyl)propenoic acid, AKOS000263688, AKOS025310067, RP11911, CC-16927, SC-13816, (E)-3-(4-(tert-butyl)phenyl)acrylic acid, TR-003440, (E)-3-(4-tert-Butyl-phenyl)-acrylic acid, CS-0091044, ST50196391, (E)-3-(4-tert-butylphenyl)prop-2-enoic acid, C-4018, (2E)-3-(4-tert-butylphenyl)-2-propenoic acid, 8R-0658, AS-871/40987600, 2-Propenoicacid,3-[4-(1,1-dimethylethyl)phenyl]-, I04-3864, J-501903, Z2573140529, 2-Propenoic acid, 3-[4-(1,1-dimethylethyl)phenyl]-, (2E)-, 190125-60-1, 4-tert-butylcinnamic acid, AR-1G4702, CID724839, ACN-042047, 12134-02-0,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	204.115g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.269g/mol
Monoisotopic Mass	204.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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