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Home Other Building Blocks 4-(ACETYLOXY)BUTANOIC ACID

4-(ACETYLOXY)BUTANOIC ACID

CAS No.:
26976-72-7
Catalog Number:
AG01DZ9L
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
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Product Description
Catalog Number:
AG01DZ9L
Chemical Name:
4-(ACETYLOXY)BUTANOIC ACID
CAS Number:
26976-72-7
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
IUPAC Name:
4-acetyloxybutanoic acid
InChI:
InChI=1S/C6H10O4/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChI Key:
GOVNVPJYMDJYSR-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOC(=O)C
UNII:
F777XEP0LL
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Investigation into new anticonvulsant derivatives of alpha-substituted N-benzylamides of gamma-hydroxy- and gamma-acetoxybutyric acid. Part 5: search for new anticonvulsant compounds. Bioorganic & medicinal chemistry 20040201
Properties