Home Carboxys 3-(4-Nitrophenyl)adamantane-1-carboxylic acid

3-(4-Nitrophenyl)adamantane-1-carboxylic acid

CAS No.:
7123-76-4
Catalog Number:
AG006A1K
Molecular Formula:
C17H19NO4
Molecular Weight:
301.3371
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Product Description
Catalog Number:
AG006A1K
Chemical Name:
3-(4-Nitrophenyl)adamantane-1-carboxylic acid
CAS Number:
7123-76-4
Molecular Formula:
C17H19NO4
Molecular Weight:
301.3371
MDL Number:
MFCD00188065
IUPAC Name:
3-(4-nitrophenyl)adamantane-1-carboxylic acid
InChI:
InChI=1S/C17H19NO4/c19-15(20)17-8-11-5-12(9-17)7-16(6-11,10-17)13-1-3-14(4-2-13)18(21)22/h1-4,11-12H,5-10H2,(H,19,20)
InChI Key:
JGYFFTQRRDPOIR-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC3CC(C1)CC(C2)(C3)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
489  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.131g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.342g/mol
Monoisotopic Mass:
301.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties