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148019-73-2 | 16-Heptadecynoic acid, 12-hydroxy-2,2-dimethyl-
CAS No: 148019-73-2 Catalog No: AG001FD9 MDL No:
Product Description
Catalog Number:
AG001FD9
Chemical Name:
16-Heptadecynoic acid, 12-hydroxy-2,2-dimethyl-
CAS Number:
148019-73-2
Molecular Formula:
C19H34O3
Molecular Weight:
310.4715
IUPAC Name:
12-hydroxy-2,2-dimethylheptadec-16-ynoic acid
InChI:
InChI=1S/C19H34O3/c1-4-5-11-14-17(20)15-12-9-7-6-8-10-13-16-19(2,3)18(21)22/h1,17,20H,5-16H2,2-3H3,(H,21,22)
InChI Key:
NKCUSUZBSTZOHV-UHFFFAOYSA-N
SMILES:
C#CCCCC(CCCCCCCCCC(C(=O)O)(C)C)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.478g/mol
Monoisotopic Mass:
310.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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