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131391-06-5 | 3-Pyrazolidinone, 5,5-dimethyl-1-(3-methyl-2-buten-1-yl)-
CAS No: 131391-06-5 Catalog No: AG000W34 MDL No:
Product Description
Catalog Number:
AG000W34
Chemical Name:
3-Pyrazolidinone, 5,5-dimethyl-1-(3-methyl-2-buten-1-yl)-
CAS Number:
131391-06-5
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
IUPAC Name:
5,5-dimethyl-1-(3-methylbut-2-enyl)pyrazolidin-3-one
InChI:
InChI=1S/C10H18N2O/c1-8(2)5-6-12-10(3,4)7-9(13)11-12/h5H,6-7H2,1-4H3,(H,11,13)
InChI Key:
GJCLLIZTVQXBLA-UHFFFAOYSA-N
SMILES:
CC(=CCN1NC(=O)CC1(C)C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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