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(octylcarbamoyl)formic acid

CAS No.:
3151-48-2
Catalog Number:
AG01B3ZW
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
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Product Description
Catalog Number:
AG01B3ZW
Chemical Name:
(octylcarbamoyl)formic acid
CAS Number:
3151-48-2
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
MDL Number:
MFCD24230920
IUPAC Name:
2-(octylamino)-2-oxoacetic acid
InChI:
InChI=1S/C10H19NO3/c1-2-3-4-5-6-7-8-11-9(12)10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChI Key:
VYHZNGLVVFUBAX-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=O)C(=O)O
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties