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139037-04-0

139037-04-0 | L-Valine, N-[(2,4,6-trimethylphenyl)acetyl]- (9CI)

CAS No: 139037-04-0 Catalog No: AG001A21 MDL No:

Product Description

Catalog Number:
AG001A21
Chemical Name:
L-Valine, N-[(2,4,6-trimethylphenyl)acetyl]- (9CI)
CAS Number:
139037-04-0
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
3-methyl-2-[[2-(2,4,6-trimethylphenyl)acetyl]amino]butanoic acid
InChI:
InChI=1S/C16H23NO3/c1-9(2)15(16(19)20)17-14(18)8-13-11(4)6-10(3)7-12(13)5/h6-7,9,15H,8H2,1-5H3,(H,17,18)(H,19,20)
InChI Key:
GZQXNIUUEKVZMN-UHFFFAOYSA-N
SMILES:
O=C(Cc1c(C)cc(cc1C)C)N[C@H](C(=O)O)C(C)C

Properties

Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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