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163210-82-0 | 4-Pentenoic acid, 2-amino-, 1,1-dimethylethyl ester, (2S)-
CAS No: 163210-82-0 Catalog No: AG001TVM MDL No:MFCD07368800
Product Description
Catalog Number:
AG001TVM
Chemical Name:
4-Pentenoic acid, 2-amino-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
163210-82-0
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD07368800
IUPAC Name:
tert-butyl (2S)-2-aminopent-4-enoate
InChI:
InChI=1S/C9H17NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h5,7H,1,6,10H2,2-4H3/t7-/m0/s1
InChI Key:
FFDXLHHMGNXXAG-ZETCQYMHSA-N
SMILES:
C=CC[C@@H](C(=O)OC(C)(C)C)N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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