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114214-85-6 | Propanoic acid, 2-hydroxy-2-methyl-, dodecyl ester
CAS No: 114214-85-6 Catalog No: AG000AU5 MDL No:
Product Description
Catalog Number:
AG000AU5
Chemical Name:
Propanoic acid, 2-hydroxy-2-methyl-, dodecyl ester
CAS Number:
114214-85-6
Molecular Formula:
C16H32O3
Molecular Weight:
272.4235
IUPAC Name:
dodecyl 2-hydroxy-2-methylpropanoate
InChI:
InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(17)16(2,3)18/h18H,4-14H2,1-3H3
InChI Key:
SQFVONMVAGYJIV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C(O)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.235g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.429g/mol
Monoisotopic Mass:
272.235g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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