AG0029VQ

20511-20-0 | 2-Propenoic acid, 3-(4-methylphenyl)-, ethyl ester

AG0029VQ

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CAS Number	20511-20-0
Catalog Number	AG0029VQ(AGN-PC-0CMOZI)
Chemical Name	2-Propenoic acid, 3-(4-methylphenyl)-, ethyl ester
EC Number	606-571-8
IUPAC Name	ethyl (E)-3-(4-methylphenyl)prop-2-enoate
InChI	InChI=1S/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8+
InChI Key	IMKVSWPEZCELRM-CMDGGOBGSA-N
MDL Number	MFCD00182491
Molecular Formula	C12H14O2
Molecular Weight	190.2384
NSC Number	338436
SMILES	O=C(OCC)/C=C/C1=CC=C(C)C=C1
Synonyms	Ethyl 4-methylcinnamate, 20511-20-0, Ethyl 3-(p-tolyl)acrylate, ethyl 4-methyl cinnamate, ethyl (E)-3-(4-methylphenyl)prop-2-enoate, ethyl (2E)-3-(4-methylphenyl)prop-2-enoate, 24393-49-5, ethyl 3-(4-methylphenyl)prop-2-enoate, ethyl 3-(4-methylphenyl)acrylate, NSC338436, PubChem8180, AC1LD2LG, Ethyl-4-methyl cinnamate, (E)-ethyl 3-p-tolylacrylate, SCHEMBL1894062, CHEMBL4065028, 4-Methylcinnamic acid ethyl ester, ethyl ((E)-4-methyl (cinnamate, IMKVSWPEZCELRM-CMDGGOBGSA-N, ZINC1578087, CE-150, MFCD00182491, AKOS006242257, (e)-ethyl 3-(4-methylphenyl)acrylate, 4-Methylbenzeneacrylic acid ethyl ester, AC-6964, AN-9519, Cinnamic acid, p-methyl-, ethyl ester, ethyl (E)-3-(p-tolyl)prop-2-enoate, GS-6767, NSC-338436, AJ-27437, CJ-05472, CJ-25085, P248, SC-02315, (E)-3-(p-tolyl)-acrylic acid ethyl ester, RT-001235, ST24030549, M-2403, Ethyl (2E)-3-(4-methylphenyl)-2-propenoate #, 3-(4-Methylphenyl)-2-propenoic acid ethyl ester, 511E200, I01-3394, InChI=1/C12H14O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3/b9-8, Ethyl4-methylcinnamate, C12H14O2, CID641318, 2-Propenoic acid, 3-(4-methylphenyl)-, ethyl ester,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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