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1001-45-2 | 6-Pentadecanone
CAS No: 1001-45-2 Catalog No: AG0000X9 MDL No:
Product Description
Catalog Number:
AG0000X9
Chemical Name:
6-Pentadecanone
CAS Number:
1001-45-2
Molecular Formula:
C15H30O
Molecular Weight:
226.3981
IUPAC Name:
pentadecan-6-one
InChI:
InChI=1S/C15H30O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3-14H2,1-2H3
InChI Key:
YSHXMTRDMDYAEC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)CCCCC
EC Number:
213-681-6
NSC Number:
158526
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.23g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.404g/mol
Monoisotopic Mass:
226.23g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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