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136680-70-1 | L-Phenylalanine, 4-hydroxybutyl ester
CAS No: 136680-70-1 Catalog No: AG00127X MDL No:
Product Description
Catalog Number:
AG00127X
Chemical Name:
L-Phenylalanine, 4-hydroxybutyl ester
CAS Number:
136680-70-1
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
IUPAC Name:
4-hydroxybutyl (2S)-2-amino-3-phenylpropanoate
InChI:
InChI=1S/C13H19NO3/c14-12(10-11-6-2-1-3-7-11)13(16)17-9-5-4-8-15/h1-3,6-7,12,15H,4-5,8-10,14H2/t12-/m0/s1
InChI Key:
RPIZQTCVTPOZFI-LBPRGKRZSA-N
SMILES:
OCCCCOC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
8
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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