Home Nitro Compounds 6315-90-8
6315-90-8,MFCD00063250
Catalog No.:AA003I33
6315-90-8 | 4,5-Methylenedioxy-2-nitrocinnamic acid
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500mg
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1g
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Technical Information
Catalog Number:
AA003I33
Chemical Name:
4,5-Methylenedioxy-2-nitrocinnamic acid
CAS Number:
6315-90-8
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
MDL Number:
MFCD00063250
IUPAC Name:
(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C10H7NO6/c12-10(13)2-1-6-3-8-9(17-5-16-8)4-7(6)11(14)15/h1-4H,5H2,(H,12,13)/b2-1+
InChI Key:
GJAIAEVUUHUHTE-OWOJBTEDSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1/C=C/C(=O)O
NSC Number:
157356
Properties
Computed Properties
 
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Synonyms
 
6315-90-8 
3-(6-Nitrobenzo[d][1,3]dioxol-5-yl)acrylic acid 
ZINC153592 
MFCD00063250 
NSC157356 
SBB028568 
AKOS001122735 
NE57146 
NSC-157356 
3,4-methylenedioxy-6-nitrocinnamic acid 
AJ-13036 
SC-42340 
4,5-METHYLENEDIOXY-2-NITROCINNAMIC ACID 
AX8092697 
BC4132385 
TC-169180 
ST50827787 
EN300-13601 
(E)-6-Nitro-1,3-benzodioxole-5-acrylic acid 
3-(6-Nitro-1,3-benzodioxol-5-yl)propenoic acid 
SR-01000070201 
3-(3,4-methylenedioxy-6-nitrophenyl)propenoic acid 
SR-01000070201-1 
3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid 
(2E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid 
I14-86189 
(E)-3-(5-nitrobenzo[d][1,3]dioxol-6-yl)acrylic aci 
(E)-3-(5-nitrobenzo[d][1,3]dioxol-6-yl)acrylic acid 
(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoic acid 
156774-73-1 
NSC21034 
CID5702850 
4,5-METHYLENEDIOXY-2-NITROCINNAMICACID 
(2E)-3-(6-nitro(2H-benzo[3,4-d]1,3-dioxolen-5-yl))prop-2-enoic acid 
3-(6-Nitro-1,3-benzodioxol-5-yl)acrylic acid 
AC1NWC3J 
AC1Q71ES 
SCHEMBL1613586 
GJAIAEVUUHUHTE-OWOJBTEDSA-N 
Literature
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