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10228-54-3 | Acetic acid, 2-butoxy-, methyl ester
CAS No: 10228-54-3 Catalog No: AG00073U MDL No:
Product Description
Catalog Number:
AG00073U
Chemical Name:
Acetic acid, 2-butoxy-, methyl ester
CAS Number:
10228-54-3
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
methyl 2-butoxyacetate
InChI:
InChI=1S/C7H14O3/c1-3-4-5-10-6-7(8)9-2/h3-6H2,1-2H3
InChI Key:
BKFQHFFZHGUTEZ-UHFFFAOYSA-N
SMILES:
CCCCOCC(=O)OC
NSC Number:
294108
Properties
Complexity:
90.9
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:
0
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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