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830324-07-7 | 3-Buten-2-one, 4-[[2-[(2-butyl-1,3-dioxolan-2-yl)methyl]phenyl]amino]-
CAS No: 830324-07-7 Catalog No: AG004Y03 MDL No:
Product Description
Catalog Number:
AG004Y03
Chemical Name:
3-Buten-2-one, 4-[[2-[(2-butyl-1,3-dioxolan-2-yl)methyl]phenyl]amino]-
CAS Number:
830324-07-7
Molecular Formula:
C18H25NO3
Molecular Weight:
303.3960
IUPAC Name:
4-[2-[(2-butyl-1,3-dioxolan-2-yl)methyl]anilino]but-3-en-2-one
InChI:
InChI=1S/C18H25NO3/c1-3-4-10-18(21-12-13-22-18)14-16-7-5-6-8-17(16)19-11-9-15(2)20/h5-9,11,19H,3-4,10,12-14H2,1-2H3
InChI Key:
RFDGKZRRISOYON-UHFFFAOYSA-N
SMILES:
CCCCC1(OCCO1)Cc1ccccc1NC=CC(=O)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.402g/mol
Monoisotopic Mass:
303.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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