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127073-63-6 | Hexanoic acid, 3-hydroxy-2,2,5-trimethyl-, ethyl ester
CAS No: 127073-63-6 Catalog No: AG000WNM MDL No:
Product Description
Catalog Number:
AG000WNM
Chemical Name:
Hexanoic acid, 3-hydroxy-2,2,5-trimethyl-, ethyl ester
CAS Number:
127073-63-6
Molecular Formula:
C11H22O3
Molecular Weight:
202.2906
IUPAC Name:
ethyl 3-hydroxy-2,2,5-trimethylhexanoate
InChI:
InChI=1S/C11H22O3/c1-6-14-10(13)11(4,5)9(12)7-8(2)3/h8-9,12H,6-7H2,1-5H3
InChI Key:
RRGNAZLRCFHQKH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(CC(C)C)O)(C)C
Properties
Complexity:
185
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:
1
Isotope Atom Count:
0
Molecular Weight:
202.294g/mol
Monoisotopic Mass:
202.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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