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10233-13-3 | Dodecanoic acid, 1-methylethyl ester
CAS No: 10233-13-3 Catalog No: AG000776 MDL No:MFCD00451146
Product Description
Catalog Number:
AG000776
Chemical Name:
Dodecanoic acid, 1-methylethyl ester
CAS Number:
10233-13-3
Molecular Formula:
C15H30O2
Molecular Weight:
242.3975
MDL Number:
MFCD00451146
IUPAC Name:
propan-2-yl dodecanoate
InChI:
InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChI Key:
UJPPXNXOEVDSRW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OC(C)C
EC Number:
233-560-1
UNII:
U0JQ94LABM
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.225g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.403g/mol
Monoisotopic Mass:
242.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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