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87402-76-4 | 3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolane-2,3-diol
CAS No: 87402-76-4 Catalog No: AG004JRP MDL No:
Product Description
Catalog Number:
AG004JRP
Chemical Name:
3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]oxolane-2,3-diol
CAS Number:
87402-76-4
Molecular Formula:
C20H24O7
Molecular Weight:
376.4004
IUPAC Name:
3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolane-2,3-diol
InChI:
InChI=1S/C20H24O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,19,21-24H,7,10-11H2,1-2H3
InChI Key:
LHQJDCXEZZAFKD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1O)CC1COC(C1(O)Cc1ccc(c(c1)OC)O)O
NSC Number:
372204
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
376.405g/mol
Monoisotopic Mass:
376.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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