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115220-57-0 | Valine, 3-methyl-N-(phenylmethoxy)-
CAS No: 115220-57-0 Catalog No: AG000GH1 MDL No:
Product Description
Catalog Number:
AG000GH1
Chemical Name:
Valine, 3-methyl-N-(phenylmethoxy)-
CAS Number:
115220-57-0
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
3,3-dimethyl-2-(phenylmethoxyamino)butanoic acid
InChI:
InChI=1S/C13H19NO3/c1-13(2,3)11(12(15)16)14-17-9-10-7-5-4-6-8-10/h4-8,11,14H,9H2,1-3H3,(H,15,16)
InChI Key:
GCRSSJHLFYGHHU-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](C(C)(C)C)NOCc1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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