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14144-48-0 | Propanoic acid, 3-butoxy-, butyl ester
CAS No: 14144-48-0 Catalog No: AG001GE2 MDL No:
Product Description
Catalog Number:
AG001GE2
Chemical Name:
Propanoic acid, 3-butoxy-, butyl ester
CAS Number:
14144-48-0
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
butyl 3-butoxypropanoate
InChI:
InChI=1S/C11H22O3/c1-3-5-8-13-10-7-11(12)14-9-6-4-2/h3-10H2,1-2H3
InChI Key:
BMOACRKLCOIODC-UHFFFAOYSA-N
SMILES:
CCCCOCCC(=O)OCCCC
NSC Number:
406516
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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