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90996-42-2

90996-42-2 | 9,11-Tritriacontanediol, 3-methoxy-4-methyl-

CAS No: 90996-42-2 Catalog No: AG006FRO MDL No:

Product Description

Catalog Number:
AG006FRO
Chemical Name:
9,11-Tritriacontanediol, 3-methoxy-4-methyl-
CAS Number:
90996-42-2
Molecular Formula:
C35H72O3
Molecular Weight:
540.9444
IUPAC Name:
3-methoxy-4-methyltritriacontane-9,11-diol
InChI:
InChI=1S/C35H72O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-33(36)31-34(37)30-27-26-28-32(3)35(6-2)38-4/h32-37H,5-31H2,1-4H3
InChI Key:
NMGIQFYAIRSKCV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC(C(OC)CC)C)O)O

Properties

Complexity:
441  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
540.548g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
540.958g/mol
Monoisotopic Mass:
540.548g/mol
Rotatable Bond Count:
31  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1  

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