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23361-74-2 | Pentanoic acid, 1-methylpropyl ester
CAS No: 23361-74-2 Catalog No: AG002MZ1 MDL No:
Product Description
Catalog Number:
AG002MZ1
Chemical Name:
Pentanoic acid, 1-methylpropyl ester
CAS Number:
23361-74-2
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
IUPAC Name:
butan-2-yl pentanoate
InChI:
InChI=1S/C9H18O2/c1-4-6-7-9(10)11-8(3)5-2/h8H,4-7H2,1-3H3
InChI Key:
WKIZFWVLAYCRDF-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC(CC)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.241g/mol
Monoisotopic Mass:
158.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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