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87241-91-6 | Hexanoic acid, 4-hydroxy-, methyl ester
CAS No: 87241-91-6 Catalog No: AG004MMY MDL No:
Product Description
Catalog Number:
AG004MMY
Chemical Name:
Hexanoic acid, 4-hydroxy-, methyl ester
CAS Number:
87241-91-6
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
methyl 4-hydroxyhexanoate
InChI:
InChI=1S/C7H14O3/c1-3-6(8)4-5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChI Key:
GAHDIGHBYWYMPW-UHFFFAOYSA-N
SMILES:
CCC(CCC(=O)OC)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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