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10271-34-8 | 3H-2-Benzopyran-3-one, 1-(acetyloxy)-1,4-dihydro-4,4-dimethyl-1-phenyl-
CAS No: 10271-34-8 Catalog No: AG000873 MDL No:
Product Description
Catalog Number:
AG000873
Chemical Name:
3H-2-Benzopyran-3-one, 1-(acetyloxy)-1,4-dihydro-4,4-dimethyl-1-phenyl-
CAS Number:
10271-34-8
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
(4,4-dimethyl-3-oxo-1-phenylisochromen-1-yl) acetate
InChI:
InChI=1S/C19H18O4/c1-13(20)22-19(14-9-5-4-6-10-14)16-12-8-7-11-15(16)18(2,3)17(21)23-19/h4-12H,1-3H3
InChI Key:
DDMLLGMPLLDPCO-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(OC(=O)C(c2c1cccc2)(C)C)c1ccccc1
UNII:
3TMJ75I6FG
NSC Number:
171739
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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