AG003C0R

58045-41-3 | (E)-4-Formylcinnamic Acid Methyl Ester

AG003C0R

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CAS Number	58045-41-3
Catalog Number	AG003C0R(AGN-PC-0OCNV9)
Chemical Name	(E)-4-Formylcinnamic Acid Methyl Ester
IUPAC Name	methyl (E)-3-(4-formylphenyl)prop-2-enoate
InChI	InChI=1S/C11H10O3/c1-14-11(13)7-6-9-2-4-10(8-12)5-3-9/h2-8H,1H3/b7-6+
InChI Key	KVXMLLMZXPRPNG-VOTSOKGWSA-N
MDL Number	MFCD00157179
Molecular Formula	C11H10O3
Molecular Weight	190.1953
SMILES	COC(C=CC1=CC=C(C=C1)C=O)=O
Synonyms	methyl 3-(4-formylphenyl)acrylate, 58045-41-3, (E)-methyl 3-(4-formylphenyl)acrylate, 7560-50-1, Methyl 4-formylcinnamate, METHYL (E)-3-(4-FORMYLPHENYL)ACRYLATE, 4-FORMYLCINNAMIC ACID METHYL ESTER, (E)-4-Formylcinnamic Acid Methyl Ester, Methyl (E)-3-(4-formylphenyl)prop-2-enoate, (E)-3-(4-formyl-phenyl)-acrylic acid methyl ester, 2-Propenoic acid, 3-(4-formylphenyl)-, methyl ester, (2E)-, Methyl 3-(4-formylphenyl)-2-(E)-propenoate, methyl (2E)-3-(4-formylphenyl)prop-2-enoate, AK-31930, SCHEMBL20653, SCHEMBL20654, Methyl (E)-p-Formylcinnamate, Methyl 4-formylcinnamate, 97%, KVXMLLMZXPRPNG-VOTSOKGWSA-N, ACT06501, BCP00295, BCP19367, ZINC2530989, BBL101955, MFCD00157179, STL555752, AKOS005146329, AKOS025310498, AN-4685, AN-5127, CS-W008046, Methyl(E)-3-(4-formylphenyl)acrylate, RTC-062875, 4-Formylbenzeneacrylic acid methyl ester, methyl(2e)-3-(4-formylphenyl)acrylate, methyl 3-(4-formylphenyl)prop-2-enoate, AJ-38529, AK-51047, CJ-09097, DS-11605, methyl (2E)-3-(4-formylphenyl)acrylate, SC-28425, AX8034835, AX8161768, DB-001042, ST2419537, TC-062875, TX-015661, AM20041120, Z3584, (e)-3-(4-formyl-phenyl)acrylic acid methyl ester, I01-8030, (2E)-3-(4-Formylphenyl)-2-propenoic Acid Methyl Ester, C11H10O3, 4-FORMYLCINNAMICACIDMETHYLESTER, (E)-Methyl3-(4-formylphenyl)acrylate, ACN-051463, CID11008713, C3243, A15791,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	190.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	190.198g/mol
Monoisotopic Mass	190.063g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number