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141362-49-4 | 5-Hexenoic acid, 2-amino-, phenylmethyl ester, (2S)-
CAS No: 141362-49-4 Catalog No: AG001GAF MDL No:
Product Description
Catalog Number:
AG001GAF
Chemical Name:
5-Hexenoic acid, 2-amino-, phenylmethyl ester, (2S)-
CAS Number:
141362-49-4
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
benzyl 2-aminohex-5-enoate
InChI:
InChI=1S/C13H17NO2/c1-2-3-9-12(14)13(15)16-10-11-7-5-4-6-8-11/h2,4-8,12H,1,3,9-10,14H2
InChI Key:
KNVULHDUGSKORL-UHFFFAOYSA-N
SMILES:
C=CCC[C@@H](C(=O)OCc1ccccc1)N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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