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891202-41-8 | 10-Nonadecanone, 9-(hydroxymethyl)-
CAS No: 891202-41-8 Catalog No: AG003Y8I MDL No:
Product Description
Catalog Number:
AG003Y8I
Chemical Name:
10-Nonadecanone, 9-(hydroxymethyl)-
CAS Number:
891202-41-8
Molecular Formula:
C20H40O2
Molecular Weight:
312.5304
IUPAC Name:
9-(hydroxymethyl)nonadecan-10-one
InChI:
InChI=1S/C20H40O2/c1-3-5-7-9-11-13-15-17-20(22)19(18-21)16-14-12-10-8-6-4-2/h19,21H,3-18H2,1-2H3
InChI Key:
FSRGTHLEMHGOFV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)C(CCCCCCCC)CO
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.303g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.538g/mol
Monoisotopic Mass:
312.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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