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88302-72-1 | Pentanal, 2-(acetyloxy)-
CAS No: 88302-72-1 Catalog No: AG00494A MDL No:MFCD24675838
Product Description
Catalog Number:
AG00494A
Chemical Name:
Pentanal, 2-(acetyloxy)-
CAS Number:
88302-72-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD24675838
IUPAC Name:
1-oxopentan-2-yl acetate
InChI:
InChI=1S/C7H12O3/c1-3-4-7(5-8)10-6(2)9/h5,7H,3-4H2,1-2H3
InChI Key:
KLCJXOPUCJLTHE-UHFFFAOYSA-N
SMILES:
CCCC(OC(=O)C)C=O
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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