Ethyl 2-ethoxycinnamate

CAT: 0024-sc-228021Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-228021Size:5 mL

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CAS Number

50636-22-1

Chemical Information

2-Propenoic acid, 3-(2-ethoxyphenyl)-, ethyl ester

CAS Number	50636-22-1
PubChem CID	5885700
IUPAC Name	ethyl (E)-3-(2-ethoxyphenyl)prop-2-enoate
Molecular Formula	C13H16O3
Molecular Weight	220.26
XLogP	2.9
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	235

SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC

InChI

InChI=1S/C13H16O3/c1-3-15-12-8-6-5-7-11(12)9-10-13(14)16-4-2/h5-10H,3-4H2,1-2H3/b10-9+

InChIKey

WJRLRVSUBGIUGI-MDZDMXLPSA-N

Chemical Structure

2D Structure

CAS: 50636-22-1

CID: 5885700

Formula: C13H16O3

MW: 220.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.26
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	220.109944368
Monoisotopic Mass	220.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-235075	Ethyl trans-4-ethoxycinnamate
sc-235073	Ethyl trans-3-ethoxycinnamate
sc-486835	Ethyl 2-ethyl-2-methylacetoacetate
sc-499036	2-Ethyl-2-phenylglycine ethyl ester
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-307902	(2-Ethoxy-ethyl) -ethyl-amine
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-308223	(2-Methoxy-ethyl) - (2,2,2-trifluoro-ethyl) -amine
sc-294502	Ethyl 2-Ethyl-2- (1-methylbutyl) malonate
sc-287616A	2- (Methacryloyloxy) ethyl 2- (Trimethylammonio) ethyl Phosphate

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