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89422-42-4 | Butanoic acid, 3-(acetyloxy)-, methyl ester
CAS No: 89422-42-4 Catalog No: AG00462Q MDL No:
Product Description
Catalog Number:
AG00462Q
Chemical Name:
Butanoic acid, 3-(acetyloxy)-, methyl ester
CAS Number:
89422-42-4
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
methyl 3-acetyloxybutanoate
InChI:
InChI=1S/C7H12O4/c1-5(11-6(2)8)4-7(9)10-3/h5H,4H2,1-3H3
InChI Key:
GSQSJDKJUCRGGT-UHFFFAOYSA-N
SMILES:
COC(=O)CC(OC(=O)C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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