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81649-86-7 | 1-Penten-3-one, 4-methyl-1-(methylamino)-, (Z)-
CAS No: 81649-86-7 Catalog No: AG0051CP MDL No:
Product Description
Catalog Number:
AG0051CP
Chemical Name:
1-Penten-3-one, 4-methyl-1-(methylamino)-, (Z)-
CAS Number:
81649-86-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
4-methyl-1-(methylamino)pent-1-en-3-one
InChI:
InChI=1S/C7H13NO/c1-6(2)7(9)4-5-8-3/h4-6,8H,1-3H3
InChI Key:
SIOXOYJMTAXAHR-UHFFFAOYSA-N
SMILES:
CN/C=C\C(=O)C(C)C
Properties
Complexity:
116
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:
1
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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