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72156-96-8 | 1,12-Dodecanediol, monoacetate
CAS No: 72156-96-8 Catalog No: AG005JSM MDL No:
Product Description
Catalog Number:
AG005JSM
Chemical Name:
1,12-Dodecanediol, monoacetate
CAS Number:
72156-96-8
Molecular Formula:
C14H30O4
Molecular Weight:
262.3856
IUPAC Name:
acetic acid;dodecane-1,12-diol
InChI:
InChI=1S/C12H26O2.C2H4O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14;1-2(3)4/h13-14H,1-12H2;1H3,(H,3,4)
InChI Key:
TZKPKYGGHIONOT-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCCCCCCCCCCCCO
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.39g/mol
Monoisotopic Mass:
262.214g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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