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10228-99-6 | Pentanoic acid, 4,4-dimethyl-, ethyl ester
CAS No: 10228-99-6 Catalog No: AG00073M MDL No:MFCD16620942
Product Description
Catalog Number:
AG00073M
Chemical Name:
Pentanoic acid, 4,4-dimethyl-, ethyl ester
CAS Number:
10228-99-6
Molecular Formula:
C9H18O2
Molecular Weight:
158.2380
MDL Number:
MFCD16620942
IUPAC Name:
ethyl 4,4-dimethylpentanoate
InChI:
InChI=1S/C9H18O2/c1-5-11-8(10)6-7-9(2,3)4/h5-7H2,1-4H3
InChI Key:
PUJGGPCGKBGBAD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(C)(C)C
Properties
Complexity:
122
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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