Home Other Building Blocks 2-(4-cyclopentaneamidophenyl)acetic acid

2-(4-cyclopentaneamidophenyl)acetic acid

CAS No.:
954563-80-5
Catalog Number:
AG01AA9R
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
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Product Description
Catalog Number:
AG01AA9R
Chemical Name:
2-(4-cyclopentaneamidophenyl)acetic acid
CAS Number:
954563-80-5
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
MDL Number:
MFCD09742132
IUPAC Name:
2-[4-(cyclopentanecarbonylamino)phenyl]acetic acid
InChI:
InChI=1S/C14H17NO3/c16-13(17)9-10-5-7-12(8-6-10)15-14(18)11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,15,18)(H,16,17)
InChI Key:
MPPDXMQNPWWCGS-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC1)Nc1ccc(cc1)CC(=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:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties