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Home > Other Building Blocks > 178765-54-3
178765-54-3 | 1,2-Benzenediol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadien-1-yl]-
CAS No: 178765-54-3 Catalog No: AG0026AS MDL No:MFCD28100308
Product Description
Catalog Number:
AG0026AS
Chemical Name:
1,2-Benzenediol, 4-[(1E,3S)-3-ethenyl-3,7-dimethyl-1,6-octadien-1-yl]-
CAS Number:
178765-54-3
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
MDL Number:
MFCD28100308
IUPAC Name:
4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]benzene-1,2-diol
InChI:
InChI=1S/C18H24O2/c1-5-18(4,11-6-7-14(2)3)12-10-15-8-9-16(19)17(20)13-15/h5,7-10,12-13,19-20H,1,6,11H2,2-4H3/b12-10+/t18-/m1/s1
InChI Key:
ZHKCOGVKHHAUBK-NCUBBLFSSA-N
SMILES:
C=C[C@@](/C=C/c1ccc(c(c1)O)O)(CCC=C(C)C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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