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19824-34-1 | 1-Buten-1-one, 2-(1,1-dimethylethyl)-3,3-dimethyl-
CAS No: 19824-34-1 Catalog No: AG002BDU MDL No:
Product Description
Catalog Number:
AG002BDU
Chemical Name:
1-Buten-1-one, 2-(1,1-dimethylethyl)-3,3-dimethyl-
CAS Number:
19824-34-1
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
2-tert-butyl-3,3-dimethylbut-1-en-1-one
InChI:
InChI=1S/C10H18O/c1-9(2,3)8(7-11)10(4,5)6/h1-6H3
InChI Key:
DXLJWXMEHUUANA-UHFFFAOYSA-N
SMILES:
O=C=C(C(C)(C)C)C(C)(C)C
Properties
Complexity:
166
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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