Home Carboxys 4-(1H-pyrrol-1-yl)cyclohexane-1-carboxylic acid

4-(1H-pyrrol-1-yl)cyclohexane-1-carboxylic acid

CAS No.:
1179917-63-5
Catalog Number:
AG01A8HL
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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Product Description
Catalog Number:
AG01A8HL
Chemical Name:
4-(1H-pyrrol-1-yl)cyclohexane-1-carboxylic acid
CAS Number:
1179917-63-5
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD12157017
IUPAC Name:
4-pyrrol-1-ylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C11H15NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-2,7-10H,3-6H2,(H,13,14)
InChI Key:
HYPDLRNSCDDDIH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC(CC1)n1cccc1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties