α-Ethyl-3-nitrocinnamic acid

CAT: 0024-sc-268481Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-268481Size:5 g

Selected

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

Quick Request Actions

CAS Number

124525-55-9

Chemical Information

Butanoic acid, 2-[(3-nitrophenyl)methylene]-, (E)-

CAS Number	124525-55-9
PubChem CID	6059692
IUPAC Name	(2E)-2-[(3-nitrophenyl)methylidene]butanoic acid
Molecular Formula	C11H11NO4
Molecular Weight	221.21
XLogP	2.5
Topological Polar Surface Area	83.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	306

SMILES

CC/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C11H11NO4/c1-2-9(11(13)14)6-8-4-3-5-10(7-8)12(15)16/h3-7H,2H2,1H3,(H,13,14)/b9-6+

InChIKey

QMUHBYNLXQHZNR-RMKNXTFCSA-N

Chemical Structure

2D Structure

CAS: 124525-55-9

CID: 6059692

Formula: C11H11NO4

MW: 221.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.21
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	221.06880783
Monoisotopic Mass	221.06880783
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	306
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-352348	3-Nitrocinnamic acid
sc-251275	Trans-3-Nitrocinnamic acid
sc-216965	4-Nitrocinnamic Acid
sc-229517	Trans-4-Chloro-3-nitrocinnamic acid
sc-237202	Trans-4-Nitrocinnamic acid
sc-237167	Trans-2-Nitrocinnamic acid
sc-277728	4,5-Dimethoxy-2-nitrocinnamic acid
sc-262270	4', '5- (Methylenedioxy) -2'-nitrocinnamic acid
sc-265592	2-Chloro-5-nitrocinnamic acid, predominantly trans
sc-231683	3-Ethyl-3-methylglutaric acid

Catalog	Name
OR6582-01	3-Nitrocinnamic acid
AAA55568-01	Trans-3-Nitrocinnamic acid
HY-W015069-01	4-Nitrocinnamic acid
FH67918-01	4-Hydroxy-3-nitrocinnamic acid
OR1365-01	4-Chloro-3-nitrocinnamic acid
N7560-01	2-Nitrocinnamic acid
FC163751-01	Cis-4-Chloro-3-nitrocinnamic acid
FM68032-01	3,4- (Methylenedioxy) -6-nitrocinnamic acid
N08300	M-Nitrocinnamic acid 97%
BAA01396-01	Trans-2-Nitrocinnamic Acid