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123300-05-0 | L-Phenylalanine, N-(1-carboxyethyl)-, (R)- (9CI)
CAS No: 123300-05-0 Catalog No: AG000KB1 MDL No:
Product Description
Catalog Number:
AG000KB1
Chemical Name:
L-Phenylalanine, N-(1-carboxyethyl)-, (R)- (9CI)
CAS Number:
123300-05-0
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
IUPAC Name:
2-(1-carboxyethylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C12H15NO4/c1-8(11(14)15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,13H,7H2,1H3,(H,14,15)(H,16,17)
InChI Key:
MSBSJGQKNVMMQB-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)N[C@@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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