Home Other Building Blocks Hexadecanoic acid, 1-methylethyl ester

Hexadecanoic acid, 1-methylethyl ester

CAS No.:
142-91-6
Catalog Number:
AG001HJ6
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
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Product Description
Catalog Number:
AG001HJ6
Chemical Name:
Hexadecanoic acid, 1-methylethyl ester
CAS Number:
142-91-6
Molecular Formula:
C19H38O2
Molecular Weight:
298.5038
MDL Number:
MFCD01861055
IUPAC Name:
propan-2-yl hexadecanoate
InChI:
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
InChI Key:
XUGNVMKQXJXZCD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OC(C)C
EC Number:
205-571-1
UNII:
8CRQ2TH63M
NSC Number:
69169
RTECS Number:
RT4900000
Properties
Complexity:
224  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  
Literature
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Properties