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1000413-84-2 | 2',6'-diMethyl-4'-(3-(Methylsulfonyl)propoxy)biphenyl-3-carbaldehyde
CAS No: 1000413-84-2 Catalog No: AG008TBR MDL No:MFCD22124595
Product Description
Catalog Number:
AG008TBR
Chemical Name:
2',6'-diMethyl-4'-(3-(Methylsulfonyl)propoxy)biphenyl-3-carbaldehyde
CAS Number:
1000413-84-2
Molecular Formula:
C19H22O4S
Molecular Weight:
346.4406
MDL Number:
MFCD22124595
IUPAC Name:
3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]benzaldehyde
InChI:
InChI=1S/C19H22O4S/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/h4,6-7,10-13H,5,8-9H2,1-3H3
InChI Key:
DRHXNWOFLLDTSB-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.441g/mol
Monoisotopic Mass:
346.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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