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1000413-85-3 | [1,1'-Biphenyl]-3-methanol, 2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]-
CAS No: 1000413-85-3 Catalog No: AG0000NE MDL No:MFCD22124594
Product Description
Catalog Number:
AG0000NE
Chemical Name:
[1,1'-Biphenyl]-3-methanol, 2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]-
CAS Number:
1000413-85-3
Molecular Formula:
C19H24O4S
Molecular Weight:
348.4565
MDL Number:
MFCD22124594
IUPAC Name:
[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methanol
InChI:
InChI=1S/C19H24O4S/c1-14-10-18(23-8-5-9-24(3,21)22)11-15(2)19(14)17-7-4-6-16(12-17)13-20/h4,6-7,10-12,20H,5,8-9,13H2,1-3H3
InChI Key:
ROZUFBZGOOVXCF-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.457g/mol
Monoisotopic Mass:
348.14g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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