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1221-43-8 | 2H-1-Benzopyran-2-one, 8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-7-methoxy-
CAS No: 1221-43-8 Catalog No: AG0016RM MDL No:MFCD20275009
Product Description
Catalog Number:
AG0016RM
Chemical Name:
2H-1-Benzopyran-2-one, 8-[(2S)-2-hydroxy-3-methyl-3-buten-1-yl]-7-methoxy-
CAS Number:
1221-43-8
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
MDL Number:
MFCD20275009
IUPAC Name:
8-[(2S)-2-hydroxy-3-methylbut-3-enyl]-7-methoxychromen-2-one
InChI:
InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3/t12-/m0/s1
InChI Key:
SQSRYWNOKPJENY-LBPRGKRZSA-N
SMILES:
COc1ccc2c(c1C[C@@H](C(=C)C)O)oc(=O)cc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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