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138333-47-8 | 1,6-Heptadiyn-4-ol, 1,7-bis(3-methoxyphenyl)-
CAS No: 138333-47-8 Catalog No: AG0018KB MDL No:
Product Description
Catalog Number:
AG0018KB
Chemical Name:
1,6-Heptadiyn-4-ol, 1,7-bis(3-methoxyphenyl)-
CAS Number:
138333-47-8
Molecular Formula:
C21H20O3
Molecular Weight:
320.3817
IUPAC Name:
1,7-bis(3-methoxyphenyl)hepta-1,6-diyn-4-ol
InChI:
InChI=1S/C21H20O3/c1-23-20-13-5-9-17(15-20)7-3-11-19(22)12-4-8-18-10-6-14-21(16-18)24-2/h5-6,9-10,13-16,19,22H,11-12H2,1-2H3
InChI Key:
AKAOLPNIECSZGC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C#CCC(CC#Cc1cccc(c1)OC)O
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.388g/mol
Monoisotopic Mass:
320.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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