Ethyl 3-boronocinnamate

CAT: 0024-sc-263229Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-263229Size:1 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

913835-51-5

Chemical Information

(E)-(3-(3-Ethoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid

CAS Number	913835-51-5
PubChem CID	44119341
IUPAC Name	[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]boronic acid
Molecular Formula	C11H13BO4
Molecular Weight	220.03
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	252

SMILES

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

InChI

InChI=1S/C11H13BO4/c1-2-16-11(13)7-6-9-4-3-5-10(8-9)12(14)15/h3-8,14-15H,2H2,1H3/b7-6+

InChIKey

UIZGQEYEJKAASO-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 913835-51-5

CID: 44119341

Formula: C11H13BO4

MW: 220.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.03
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	220.0906891
Monoisotopic Mass	220.0906891
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	252
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-263258	Ethyl 4-boronocinnamate
sc-263258A	Ethyl 4-boronocinnamate
sc-263560	Methyl 3-boronocinnamate
sc-287132A	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-327319	Ethyl 3-[ethyl (methyl) amino]butanoate
sc-237545	1-Ethyl-3-methylimidazolium ethyl sulfate
sc-287132	1-Ethyl-3-methylpyridinium Ethyl Sulfate
sc-276231	3-Ethyl-3-hexanol
sc-486296	3-Ethyl-3-methylheptane
sc-231684	3-Ethyl-3-oxetanemethanol

Catalog	Name
449074-01	Ethyl 3-boronocinnamate
OR1089430-01	Ethyl 3-ethyl-5-formylbenzoate
OR1076443-01	Ethyl 4-ethyl-3-oxohexanoate
OR1091010-01	Ethyl 3-ethyl-2-methylbenzoate
OR1089848-01	Ethyl 3-ethyl-4-isopropoxybenzoate
OR1060780-01	Ethyl 4-ethyl-3-oxooctanoate
OR1089604-01	Ethyl 3-ethyl-4-formylbenzoate
OR81123-01	Ethyl 3- (N-ethyl-3-methylbenzamido) propanoate
AR-G01390-01	Ethyl 3-cyano-2-ethyl-3-hydroxybutanoate
HY-W700518-01	Ethyl 2-ethyl-3-oxobutanoate-d5