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2198-61-0 | Isopentyl hexanoate
CAS No: 2198-61-0 Catalog No: AG00351Z MDL No:MFCD00027280
Product Description
Catalog Number:
AG00351Z
Chemical Name:
Isopentyl hexanoate
CAS Number:
2198-61-0
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD00027280
IUPAC Name:
3-methylbutyl hexanoate
InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
InChI Key:
XVSZRAWFCDHCBP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCCC(C)C
EC Number:
218-600-8
UNII:
694171CHWH
FEMA Number:
2075
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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