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137-21-3 | Octadecanedioic acid, 9,10-dihydroxy-
CAS No: 137-21-3 Catalog No: AG0012OE MDL No:
Product Description
Catalog Number:
AG0012OE
Chemical Name:
Octadecanedioic acid, 9,10-dihydroxy-
CAS Number:
137-21-3
Molecular Formula:
C18H34O6
Molecular Weight:
346.4590
IUPAC Name:
9,10-dihydroxyoctadecanedioic acid
InChI:
InChI=1S/C18H34O6/c19-15(11-7-3-1-5-9-13-17(21)22)16(20)12-8-4-2-6-10-14-18(23)24/h15-16,19-20H,1-14H2,(H,21,22)(H,23,24)
InChI Key:
NQBSWIGTUPEPIH-UHFFFAOYSA-N
SMILES:
OC(C(CCCCCCCC(=O)O)O)CCCCCCCC(=O)O
NSC Number:
39027
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.236g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.464g/mol
Monoisotopic Mass:
346.236g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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