Home Other Building Blocks 4-octanamidobutanoic acid

4-octanamidobutanoic acid

CAS No.:
140846-94-2
Catalog Number:
AG01AALM
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
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Product Description
Catalog Number:
AG01AALM
Chemical Name:
4-octanamidobutanoic acid
CAS Number:
140846-94-2
Molecular Formula:
C12H23NO3
Molecular Weight:
229.3159
MDL Number:
MFCD11194701
IUPAC Name:
4-(octanoylamino)butanoic acid
InChI:
InChI=1S/C12H23NO3/c1-2-3-4-5-6-8-11(14)13-10-7-9-12(15)16/h2-10H2,1H3,(H,13,14)(H,15,16)
InChI Key:
VPSVFGVVDYMKMK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)NCCCC(=O)O
UNII:
4D2462W14W
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.32g/mol
Monoisotopic Mass:
229.168g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties