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81609-26-9 | 3-Buten-2-one, 4-(dimethylamino)-3-methyl-, (E)-
CAS No: 81609-26-9 Catalog No: AG005JRZ MDL No:
Product Description
Catalog Number:
AG005JRZ
Chemical Name:
3-Buten-2-one, 4-(dimethylamino)-3-methyl-, (E)-
CAS Number:
81609-26-9
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
4-(dimethylamino)-3-methylbut-3-en-2-one
InChI:
InChI=1S/C7H13NO/c1-6(7(2)9)5-8(3)4/h5H,1-4H3
InChI Key:
LVYWMSIZUASVKC-UHFFFAOYSA-N
SMILES:
CN(/C=C(/C(=O)C)\C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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