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878571-99-4 | Propanedioic acid, chloro-, ethyl[8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-yl]methyl ester
CAS No: 878571-99-4 Catalog No: AG004JF5 MDL No:
Product Description
Catalog Number:
AG004JF5
Chemical Name:
Propanedioic acid, chloro-, ethyl[8-methoxy-2,2-bis(4-methoxyphenyl)-2H-naphtho[1,2-b]pyran-5-yl]methyl ester
CAS Number:
878571-99-4
Molecular Formula:
C34H30ClO8-
Molecular Weight:
602.0502
IUPAC Name:
2-chloro-3-[1-[8-methoxy-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]propoxy]-3-oxopropanoate
InChI:
InChI=1S/C34H31ClO8/c1-5-29(42-33(38)30(35)32(36)37)28-19-20-18-25(41-4)14-15-26(20)31-27(28)16-17-34(43-31,21-6-10-23(39-2)11-7-21)22-8-12-24(40-3)13-9-22/h6-19,29-30H,5H2,1-4H3,(H,36,37)/p-1
InChI Key:
MSQSAERQYBFJIU-UHFFFAOYSA-M
SMILES:
CCC(c1cc2cc(OC)ccc2c2c1C=CC(O2)(c1ccc(cc1)OC)c1ccc(cc1)OC)OC(=O)C(C(=O)[O-])Cl
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.163g/mol
Formal Charge:
-1
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.056g/mol
Monoisotopic Mass:
601.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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