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155814-19-0

155814-19-0 | 2-Propenoic acid, 3-(3-methoxy-2-nitrophenyl)-, (E)- (9CI)

CAS No: 155814-19-0 Catalog No: AG001O86 MDL No:

Product Description

Catalog Number:
AG001O86
Chemical Name:
2-Propenoic acid, 3-(3-methoxy-2-nitrophenyl)-, (E)- (9CI)
CAS Number:
155814-19-0
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
IUPAC Name:
(E)-3-(3-methoxy-2-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H9NO5/c1-16-8-4-2-3-7(5-6-9(12)13)10(8)11(14)15/h2-6H,1H3,(H,12,13)/b6-5+
InChI Key:
MSMFTNWJLRPBHC-AATRIKPKSA-N
SMILES:
[O-][N+](=O)c1c(/C=C/C(=O)O)cccc1OC

Properties

Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
223.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.184g/mol
Monoisotopic Mass:
223.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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