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13893-46-4 | L-Isovaline, ethyl ester
CAS No: 13893-46-4 Catalog No: AG0019VJ MDL No:
Product Description
Catalog Number:
AG0019VJ
Chemical Name:
L-Isovaline, ethyl ester
CAS Number:
13893-46-4
Molecular Formula:
C7H15NO2
Molecular Weight:
145.1995
IUPAC Name:
ethyl (2S)-2-amino-2-methylbutanoate
InChI:
InChI=1S/C7H15NO2/c1-4-7(3,8)6(9)10-5-2/h4-5,8H2,1-3H3/t7-/m0/s1
InChI Key:
YZZNKFDTPRWHHB-ZETCQYMHSA-N
SMILES:
CCOC(=O)[C@](CC)(N)C
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
145.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.202g/mol
Monoisotopic Mass:
145.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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