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6938-26-7 | Ethyl 2-Hydroxyvalerate ,
CAS No: 6938-26-7 Catalog No: AG003Q4C MDL No:MFCD00042730
Product Description
Catalog Number:
AG003Q4C
Chemical Name:
Ethyl 2-Hydroxyvalerate ,
CAS Number:
6938-26-7
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD00042730
IUPAC Name:
ethyl 2-hydroxypentanoate
InChI:
InChI=1S/C7H14O3/c1-3-5-6(8)7(9)10-4-2/h6,8H,3-5H2,1-2H3
InChI Key:
MQGTZMCASHTGBJ-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)OCC)O
EC Number:
230-066-8
NSC Number:
53939
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:
1.1
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