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81543-18-2 | 1,15-Triacontanediol
CAS No: 81543-18-2 Catalog No: AG005K77 MDL No:
Product Description
Catalog Number:
AG005K77
Chemical Name:
1,15-Triacontanediol
CAS Number:
81543-18-2
Molecular Formula:
C30H62O2
Molecular Weight:
454.8121
IUPAC Name:
triacontane-1,15-diol
InChI:
InChI=1S/C30H62O2/c1-2-3-4-5-6-7-8-9-12-15-18-21-24-27-30(32)28-25-22-19-16-13-10-11-14-17-20-23-26-29-31/h30-32H,2-29H2,1H3
InChI Key:
VBAUQJBIHQJBHZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCO)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.475g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.824g/mol
Monoisotopic Mass:
454.475g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13
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