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88021-75-4 | 4H-1-Benzopyran-4-one, 3-(1,3-dioxan-2-yl)-
CAS No: 88021-75-4 Catalog No: AG004NOD MDL No:
Product Description
Catalog Number:
AG004NOD
Chemical Name:
4H-1-Benzopyran-4-one, 3-(1,3-dioxan-2-yl)-
CAS Number:
88021-75-4
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
3-(1,3-dioxan-2-yl)chromen-4-one
InChI:
InChI=1S/C13H12O4/c14-12-9-4-1-2-5-11(9)17-8-10(12)13-15-6-3-7-16-13/h1-2,4-5,8,13H,3,6-7H2
InChI Key:
UAKFWQVWTHIKAN-UHFFFAOYSA-N
SMILES:
O=c1c(coc2c1cccc2)C1OCCCO1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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