Home Carboxys 6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

CAS No.:
2090958-77-1
Catalog Number:
AG01BVM1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
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Product Description
Catalog Number:
AG01BVM1
Chemical Name:
6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CAS Number:
2090958-77-1
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
MDL Number:
MFCD30730441
IUPAC Name:
6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H11NO2/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h4-6,11H,1-3H2,(H,14,15)
InChI Key:
OYBSQLMYARRFMD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCCC2C(=O)O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties