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88911-45-9 | 4-Dodecanone, 2,12-dihydroxy-1,1-dimethoxy-
CAS No: 88911-45-9 Catalog No: AG00496L MDL No:
Product Description
Catalog Number:
AG00496L
Chemical Name:
4-Dodecanone, 2,12-dihydroxy-1,1-dimethoxy-
CAS Number:
88911-45-9
Molecular Formula:
C14H28O5
Molecular Weight:
276.3691
IUPAC Name:
2,12-dihydroxy-1,1-dimethoxydodecan-4-one
InChI:
InChI=1S/C14H28O5/c1-18-14(19-2)13(17)11-12(16)9-7-5-3-4-6-8-10-15/h13-15,17H,3-11H2,1-2H3
InChI Key:
SFBFQDUGJAQQJY-UHFFFAOYSA-N
SMILES:
OCCCCCCCCC(=O)CC(C(OC)OC)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.373g/mol
Monoisotopic Mass:
276.194g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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