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2109-98-0 | Butanal, 2,3-dimethyl-
CAS No: 2109-98-0 Catalog No: AG002L2D MDL No:MFCD18642276
Product Description
Catalog Number:
AG002L2D
Chemical Name:
Butanal, 2,3-dimethyl-
CAS Number:
2109-98-0
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD18642276
IUPAC Name:
2,3-dimethylbutanal
InChI:
InChI=1S/C6H12O/c1-5(2)6(3)4-7/h4-6H,1-3H3
InChI Key:
AKUUEDVRXOZTBF-UHFFFAOYSA-N
SMILES:
O=CC(C(C)C)C
EC Number:
218-299-3
Properties
Complexity:
57.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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