Home Nitros 2-(5-nitro-1H-indol-3-yl)acetic acid

2-(5-nitro-1H-indol-3-yl)acetic acid

CAS No.:
79473-05-5
Catalog Number:
AG01A2US
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
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Product Description
Catalog Number:
AG01A2US
Chemical Name:
2-(5-nitro-1H-indol-3-yl)acetic acid
CAS Number:
79473-05-5
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD16737545
IUPAC Name:
2-(5-nitro-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H8N2O4/c13-10(14)3-6-5-11-9-2-1-7(12(15)16)4-8(6)9/h1-2,4-5,11H,3H2,(H,13,14)
InChI Key:
VDGWJLCMLXSEPW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties