Home Nitros 2-(4-formyl-2-nitrophenoxy)acetic acid

2-(4-formyl-2-nitrophenoxy)acetic acid

CAS No.:
944677-75-2
Catalog Number:
AG01AB8A
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
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Product Description
Catalog Number:
AG01AB8A
Chemical Name:
2-(4-formyl-2-nitrophenoxy)acetic acid
CAS Number:
944677-75-2
Molecular Formula:
C9H7NO6
Molecular Weight:
225.1550
MDL Number:
MFCD07429281
IUPAC Name:
2-(4-formyl-2-nitrophenoxy)acetic acid
InChI:
InChI=1S/C9H7NO6/c11-4-6-1-2-8(16-5-9(12)13)7(3-6)10(14)15/h1-4H,5H2,(H,12,13)
InChI Key:
TXWVISSJNXSOQX-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])OCC(=O)O
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.156g/mol
Monoisotopic Mass:
225.027g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties