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848127-67-3 | 6-Heptynamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenyl-
CAS No: 848127-67-3 Catalog No: AG004NFD MDL No:
Product Description
Catalog Number:
AG004NFD
Chemical Name:
6-Heptynamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenyl-
CAS Number:
848127-67-3
Molecular Formula:
C21H23NO3
Molecular Weight:
337.4122
IUPAC Name:
N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenylhept-6-ynamide
InChI:
InChI=1S/C21H23NO3/c1-25-20-15-18(13-14-19(20)23)16-22-21(24)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-15,23H,2-3,8,12,16H2,1H3,(H,22,24)
InChI Key:
GSIBPCYHSFDLTC-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(=O)CCCCC#Cc2ccccc2)ccc1O
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
337.419g/mol
Monoisotopic Mass:
337.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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