4,5-Dimethoxy-2-nitrocinnamic acid

CAT: 0024-sc-277728Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-277728Size:5 g

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CAS Number

20567-38-8

Chemical Information

4,5-Dimethoxy-2-nitrocinnamic acid

CAS Number	20567-38-8
PubChem CID	735832
IUPAC Name	(E)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoic acid
Molecular Formula	C11H11NO6
Molecular Weight	253.21
XLogP	1.6
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	337

SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C11H11NO6/c1-17-9-5-7(3-4-11(13)14)8(12(15)16)6-10(9)18-2/h3-6H,1-2H3,(H,13,14)/b4-3+

InChIKey

BZIRMMAJZSOLEW-ONEGZZNKSA-N

Chemical Structure

2D Structure

CAS: 20567-38-8

CID: 735832

Formula: C11H11NO6

MW: 253.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.21
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	253.05863707
Monoisotopic Mass	253.05863707
Topological Polar Surface Area	102 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	337
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-262270	4', '5- (Methylenedioxy) -2'-nitrocinnamic acid
sc-216965	4-Nitrocinnamic Acid
sc-237202	Trans-4-Nitrocinnamic acid
sc-251848	2,4-Dimethoxy-5-pyrimidinylboronic acid
sc-210180	4,5-Dimethoxy-2-nitrobenzoic Acid
sc-284461	4,5-Dimethoxy-2-iodobenzoic acid
sc-237167	Trans-2-Nitrocinnamic acid
sc-284461A	4,5-Dimethoxy-2-iodobenzoic acid
sc-267805	4,5-Dimethoxy-2-nitrophenylacetic acid
sc-265592	2-Chloro-5-nitrocinnamic acid, predominantly trans

Catalog	Name
FD70232-01	4,5-Dimethoxy-2-nitrocinnamic acid
HY-W015069-01	4-Nitrocinnamic acid
OR13070	5-Chloro-2-nitrocinnamic acid
OR2084-01	2-Chloro-5-nitrocinnamic acid
PC501534	4-Bromo-5-fluoro-2-nitrocinnamic acid
FH55446-01	2-Hydroxy-5-nitrocinnamic acid
FB70063-01	4-Bromo-2-nitrocinnamic acid
N7560-01	2-Nitrocinnamic acid
HY-W015069R	4-Nitrocinnamic acid (Standard)
FN30623-01	Trans-4-Nitrocinnamic acid