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88501-95-5 | L-Phenylalanine, N-(1-oxononyl)-
CAS No: 88501-95-5 Catalog No: AG0049GB MDL No:
Product Description
Catalog Number:
AG0049GB
Chemical Name:
L-Phenylalanine, N-(1-oxononyl)-
CAS Number:
88501-95-5
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
2-(nonanoylamino)-3-phenylpropanoic acid
InChI:
InChI=1S/C18H27NO3/c1-2-3-4-5-6-10-13-17(20)19-16(18(21)22)14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3,(H,19,20)(H,21,22)
InChI Key:
KZSWDSPCIBSHEC-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.418g/mol
Monoisotopic Mass:
305.199g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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