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133095-88-2 | Propanoic acid, 2,2-dimethyl-, 5-hydroxypentyl ester
CAS No: 133095-88-2 Catalog No: AG00149D MDL No:
Product Description
Catalog Number:
AG00149D
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 5-hydroxypentyl ester
CAS Number:
133095-88-2
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
5-hydroxypentyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C10H20O3/c1-10(2,3)9(12)13-8-6-4-5-7-11/h11H,4-8H2,1-3H3
InChI Key:
UGVAPOGKTLRCFQ-UHFFFAOYSA-N
SMILES:
OCCCCCOC(=O)C(C)(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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