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88803-23-0 | 4-Pentyn-1-one, 1-(1-methylcyclopropyl)-
CAS No: 88803-23-0 Catalog No: AG004CK8 MDL No:MFCD23905848
Product Description
Catalog Number:
AG004CK8
Chemical Name:
4-Pentyn-1-one, 1-(1-methylcyclopropyl)-
CAS Number:
88803-23-0
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD23905848
IUPAC Name:
1-(1-methylcyclopropyl)pent-4-yn-1-one
InChI:
InChI=1S/C9H12O/c1-3-4-5-8(10)9(2)6-7-9/h1H,4-7H2,2H3
InChI Key:
GCPVTVRUIAGLRO-UHFFFAOYSA-N
SMILES:
C#CCCC(=O)C1(C)CC1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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