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828940-42-7 | Oxirane, [4,7,8-trimethoxy-5-(phenylmethoxy)-2-naphthalenyl]-
CAS No: 828940-42-7 Catalog No: AG004RNP MDL No:
Product Description
Catalog Number:
AG004RNP
Chemical Name:
Oxirane, [4,7,8-trimethoxy-5-(phenylmethoxy)-2-naphthalenyl]-
CAS Number:
828940-42-7
Molecular Formula:
C22H22O5
Molecular Weight:
366.4071
IUPAC Name:
2-(4,7,8-trimethoxy-5-phenylmethoxynaphthalen-2-yl)oxirane
InChI:
InChI=1S/C22H22O5/c1-23-17-10-15(20-13-27-20)9-16-21(17)18(11-19(24-2)22(16)25-3)26-12-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3
InChI Key:
AAWRXGIOFUADSM-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(c2c1cc(cc2OC)C1CO1)OCc1ccccc1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.413g/mol
Monoisotopic Mass:
366.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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