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88255-51-0 | Pentanoic acid, 2,2,3,3-tetramethyl-, methyl ester
CAS No: 88255-51-0 Catalog No: AG004AW3 MDL No:
Product Description
Catalog Number:
AG004AW3
Chemical Name:
Pentanoic acid, 2,2,3,3-tetramethyl-, methyl ester
CAS Number:
88255-51-0
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
methyl 2,2,3,3-tetramethylpentanoate
InChI:
InChI=1S/C10H20O2/c1-7-9(2,3)10(4,5)8(11)12-6/h7H2,1-6H3
InChI Key:
OTCXXDINWCIYNR-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(CC)(C)C)(C)C
Properties
Complexity:
169
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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