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10097-26-4 | 2-Propenoic acid, 2-methyl-, 2-butyloctyl ester
CAS No: 10097-26-4 Catalog No: AG0003CF MDL No:
Product Description
Catalog Number:
AG0003CF
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-butyloctyl ester
CAS Number:
10097-26-4
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
2-butyloctyl 2-methylprop-2-enoate
InChI:
InChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3
InChI Key:
VHGQXSVGGOZFAO-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)C(=C)C)CCCCCC
EC Number:
233-231-2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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