Home Carboxys 6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

CAS No.:
540521-54-8
Catalog Number:
AG01BE4L
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
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Product Description
Catalog Number:
AG01BE4L
Chemical Name:
6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CAS Number:
540521-54-8
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD03361803
IUPAC Name:
6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c13-10(12-7-5-6-7)8-3-1-2-4-9(8)11(14)15/h1-2,7-9H,3-6H2,(H,12,13)(H,14,15)
InChI Key:
IGBLGCCLFYDMDG-UHFFFAOYSA-N
SMILES:
O=C(C1CC=CCC1C(=O)O)NC1CC1
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties