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162635-75-8 | Glycine, N-(1-oxo-10,12-pentacosadiyn-1-yl)-
CAS No: 162635-75-8 Catalog No: AG001TA6 MDL No:
Product Description
Catalog Number:
AG001TA6
Chemical Name:
Glycine, N-(1-oxo-10,12-pentacosadiyn-1-yl)-
CAS Number:
162635-75-8
Molecular Formula:
C27H45NO3
Molecular Weight:
431.6511
IUPAC Name:
2-(pentacosa-10,12-diynoylamino)acetic acid
InChI:
InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(29)28-25-27(30)31/h2-12,17-25H2,1H3,(H,28,29)(H,30,31)
InChI Key:
ZWRGTRWWYGQHQB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCC(=O)O
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.34g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
431.661g/mol
Monoisotopic Mass:
431.34g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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