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2490-28-0 | Heptadecanoic acid, 2-methyl-, methyl ester
CAS No: 2490-28-0 Catalog No: AG002PT3 MDL No:
Product Description
Catalog Number:
AG002PT3
Chemical Name:
Heptadecanoic acid, 2-methyl-, methyl ester
CAS Number:
2490-28-0
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
IUPAC Name:
methyl 2-methylheptadecanoate
InChI:
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21-3/h18H,4-17H2,1-3H3
InChI Key:
ALYATNCRESHTQY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(C(=O)OC)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.287g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.511g/mol
Monoisotopic Mass:
298.287g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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