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140-25-0 | Dodecanoic acid, phenylmethyl ester
CAS No: 140-25-0 Catalog No: AG001BWT MDL No:MFCD00026558
Product Description
Catalog Number:
AG001BWT
Chemical Name:
Dodecanoic acid, phenylmethyl ester
CAS Number:
140-25-0
Molecular Formula:
C19H30O2
Molecular Weight:
290.4403
MDL Number:
MFCD00026558
IUPAC Name:
benzyl dodecanoate
InChI:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h10-12,14-15H,2-9,13,16-17H2,1H3
InChI Key:
QNRYOQRUGRVBRL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCc1ccccc1
EC Number:
205-405-8
UNII:
HSB3L16SHO
NSC Number:
404342
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.225g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.447g/mol
Monoisotopic Mass:
290.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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