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87802-33-3 | 2-Cyclopenten-1-one, 3-[1-(1,3-dioxolan-2-yl)-1-methylethyl]-2-methyl-
CAS No: 87802-33-3 Catalog No: AG004I4H MDL No:
Product Description
Catalog Number:
AG004I4H
Chemical Name:
2-Cyclopenten-1-one, 3-[1-(1,3-dioxolan-2-yl)-1-methylethyl]-2-methyl-
CAS Number:
87802-33-3
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
3-[2-(1,3-dioxolan-2-yl)propan-2-yl]-2-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C12H18O3/c1-8-9(4-5-10(8)13)12(2,3)11-14-6-7-15-11/h11H,4-7H2,1-3H3
InChI Key:
SGMGQIBLEXNZJC-UHFFFAOYSA-N
SMILES:
CC(C1=C(C)C(=O)CC1)(C1OCCO1)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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