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2313-68-0 | Propanoic acid, 2,2-dimethyl-, pentyl ester
CAS No: 2313-68-0 Catalog No: AG002MA5 MDL No:
Product Description
Catalog Number:
AG002MA5
Chemical Name:
Propanoic acid, 2,2-dimethyl-, pentyl ester
CAS Number:
2313-68-0
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
pentyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C10H20O2/c1-5-6-7-8-12-9(11)10(2,3)4/h5-8H2,1-4H3
InChI Key:
IOTAYCLTDJEUCF-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)C(C)(C)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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