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102706-14-9 | 1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-2,2-diphenyl-, methyl ester
CAS No: 102706-14-9 Catalog No: AG000860 MDL No:MFCD00183318
Product Description
Catalog Number:
AG000860
Chemical Name:
1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-2,2-diphenyl-, methyl ester
CAS Number:
102706-14-9
Molecular Formula:
C22H18O5
Molecular Weight:
362.3753
MDL Number:
MFCD00183318
IUPAC Name:
methyl 7-methoxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C22H18O5/c1-24-18-13-15(21(23)25-2)14-19-20(18)27-22(26-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3
InChI Key:
WVRUKYMJAFHADO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2OC(Oc2c(c1)OC)(c1ccccc1)c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.381g/mol
Monoisotopic Mass:
362.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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