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557-00-6 | Propyl Isovalerate
CAS No: 557-00-6 Catalog No: AG0035J4 MDL No:MFCD00048695
Product Description
Catalog Number:
AG0035J4
Chemical Name:
Propyl Isovalerate
CAS Number:
557-00-6
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00048695
IUPAC Name:
propyl 3-methylbutanoate
InChI:
InChI=1S/C8H16O2/c1-4-5-10-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChI Key:
LSJMDWFAADPNAX-UHFFFAOYSA-N
SMILES:
CCCOC(=O)CC(C)C
EC Number:
209-148-2
UNII:
802KM69CKR
FEMA Number:
2960
Properties
Complexity:
97.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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