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824424-40-0 | 3-Buten-1-one,1-[(1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]-
CAS No: 824424-40-0 Catalog No: AG004W76 MDL No:
Product Description
Catalog Number:
AG004W76
Chemical Name:
3-Buten-1-one,1-[(1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]-
CAS Number:
824424-40-0
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
1-[(1R,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]but-3-en-1-one
InChI:
InChI=1S/C12H18O3/c1-4-5-10(13)8-6-9(8)11-7-14-12(2,3)15-11/h4,8-9,11H,1,5-7H2,2-3H3/t8-,9-,11-/m1/s1
InChI Key:
AJMGZJJSCYHKMM-FXPVBKGRSA-N
SMILES:
C=CCC(=O)[C@@H]1C[C@H]1[C@H]1COC(O1)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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