Home Other Building Blocks 3-AZEPAN-1-YL-PROPIONIC ACID

3-AZEPAN-1-YL-PROPIONIC ACID

CAS No.:
730996-05-1
Catalog Number:
AG008QK4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
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Product Description
Catalog Number:
AG008QK4
Chemical Name:
3-AZEPAN-1-YL-PROPIONIC ACID
CAS Number:
730996-05-1
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD06208888
IUPAC Name:
3-(azepan-1-yl)propanoic acid
InChI:
InChI=1S/C9H17NO2/c11-9(12)5-8-10-6-3-1-2-4-7-10/h1-8H2,(H,11,12)
InChI Key:
XQLMHRJUEUXBPF-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1CCCCCC1
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties