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1314996-30-9 | 3-Penten-2-one, 4-(cyclopropylamino)-
CAS No: 1314996-30-9 Catalog No: AG000WCG MDL No:MFCD19159684
Product Description
Catalog Number:
AG000WCG
Chemical Name:
3-Penten-2-one, 4-(cyclopropylamino)-
CAS Number:
1314996-30-9
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD19159684
IUPAC Name:
4-(cyclopropylamino)pent-3-en-2-one
InChI:
InChI=1S/C8H13NO/c1-6(5-7(2)10)9-8-3-4-8/h5,8-9H,3-4H2,1-2H3
InChI Key:
FWHKZAVVFCBKTQ-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C)NC1CC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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