Home Other Building Blocks 2-(3-CYANOCYCLOPENTYL)ACETIC ACID, Mixture of diastereomers

2-(3-CYANOCYCLOPENTYL)ACETIC ACID, Mixture of diastereomers

CAS No.:
1369100-63-9
Catalog Number:
AG01EK7I
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01EK7I
Chemical Name:
2-(3-CYANOCYCLOPENTYL)ACETIC ACID, Mixture of diastereomers
CAS Number:
1369100-63-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD22070047
IUPAC Name:
2-(3-cyanocyclopentyl)acetic acid
InChI:
InChI=1S/C8H11NO2/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7H,1-4H2,(H,10,11)
InChI Key:
HHTWDCOTFGRATD-UHFFFAOYSA-N
SMILES:
N#CC1CCC(C1)CC(=O)O
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties