AG003R4U

7780-06-5 | Isopropyl Cinnamate

AG003R4U

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CAS Number	7780-06-5
Catalog Number	AG003R4U(AGN-PC-0WADIZ)
Chemical Name	Isopropyl Cinnamate
EC Number	231-949-0
FEMA Number	2939
IUPAC Name	propan-2-yl (E)-3-phenylprop-2-enoate
InChI	InChI=1S/C12H14O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-10H,1-2H3/b9-8+
InChI Key	RGACABDFLVLVCT-CMDGGOBGSA-N
MDL Number	MFCD00048292
Molecular Formula	C12H14O2
Molecular Weight	190.2384
SMILES	O=C(OC(C)C)/C=C/C1=CC=CC=C1
UNII	6RWC10BDD7
Synonyms	Isopropyl cinnamate, 7780-06-5, CINNAMIC ACID, ISOPROPYL ESTER, Iso-propyl cinnamate, 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester, 1-Methylethyl 3-phenylpropenoate, UNII-6RWC10BDD7, Isopropyl 3-phenylpropenoate, FEMA No. 2939, trans-Cinnamic acid isopropyl ester, EINECS 231-949-0, isopropyl 3-phenylacrylate, 6RWC10BDD7, Isopropylester kyseliny skoricove, 1-Methylethyl 3-phenyl-2-propenoate, BRN 1908938, Isopropylester kyseliny skoricove [Czech], propan-2-yl (E)-3-phenylprop-2-enoate, AI3-02026, 50-68-0, Isopropyl (E)-cinnamate, Isopropyl trans-cinnamate, isopropyl 3-phenylprop-2-enoate, Isopropyl cinnamate [FHFI], propan-2-yl 3-phenylprop-2-enoate, 60512-85-8, (E)-1-Methylethyl 3-phenylacrylate, Isopropyl (E)-3-phenyl-2-propenoate, AC1NRUZB, AC1Q1QEF, SCHEMBL133104, (2E)-3-Phenyl-2-propenoic acid 1-methylethyl ester, CHEMBL2252107, DTXSID3064809, Isopropyl 3-phenyl-2-propenoate, 2-Propenoic acid, 3-phenyl-, 1-methylethyl ester, (2E)-, RGACABDFLVLVCT-CMDGGOBGSA-N, Benzeneacrylic acid isopropyl ester, Isopropyl cinnamate, >=96%, FG, ACM50680, ZINC2036793, isopropyl (E)-3-phenylprop-2-enoate, AKOS015839127, 3-Phenyl-acrylic acid, isopropyl ester, LS-2866, RTR-033624, methylethyl (2E)-3-phenylprop-2-enoate, AJ-33057, AK114419, BBV-42866401, AX8168304, ST2413156, TR-033624, ST50411090, (E)-3-phenyl-2-propenoic acid propan-2-yl ester, 2-09-00-00387 (Beilstein Handbook Reference), A839200, I01-7036, J-521565, ISOPROPYLCINNAMATE,98, MFCD00048292, CID5273464, Isopropyl cinnamate, 98% - 100G 100g,

Complexity	200
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	0
Isotope Atom Count	0
Molecular Weight	190.242g/mol
Monoisotopic Mass	190.099g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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