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10150-87-5 | 2-Butanone, 4-(acetyloxy)-
CAS No: 10150-87-5 Catalog No: AG0004NV MDL No:MFCD00010230
Product Description
Catalog Number:
AG0004NV
Chemical Name:
2-Butanone, 4-(acetyloxy)-
CAS Number:
10150-87-5
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
MDL Number:
MFCD00010230
IUPAC Name:
3-oxobutyl acetate
InChI:
InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3
InChI Key:
NWCYECXHIYEBJE-UHFFFAOYSA-N
SMILES:
CC(=O)CCOC(=O)C
UNII:
5MV6V71NO6
NSC Number:
78935
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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