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125072-68-6 | 2H-1-Benzopyran-2-one, 8-(3-ethoxy-2-hydroxy-3-methylbutyl)-7-methoxy-, (S)- (9CI)
CAS No: 125072-68-6 Catalog No: AG000N2Y MDL No:MFCD19441014
Product Description
Catalog Number:
AG000N2Y
Chemical Name:
2H-1-Benzopyran-2-one, 8-(3-ethoxy-2-hydroxy-3-methylbutyl)-7-methoxy-, (S)- (9CI)
CAS Number:
125072-68-6
Molecular Formula:
C17H22O5
Molecular Weight:
306.3536
MDL Number:
MFCD19441014
IUPAC Name:
8-(3-ethoxy-2-hydroxy-3-methylbutyl)-7-methoxychromen-2-one
InChI:
InChI=1S/C17H22O5/c1-5-21-17(2,3)14(18)10-12-13(20-4)8-6-11-7-9-15(19)22-16(11)12/h6-9,14,18H,5,10H2,1-4H3
InChI Key:
ZEJUDJOXRYEYKX-UHFFFAOYSA-N
SMILES:
CCOC([C@H](Cc1c(OC)ccc2c1oc(=O)cc2)O)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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