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116384-26-0 | 2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-methoxy-, (S)- (9CI)
CAS No: 116384-26-0 Catalog No: AG000CDB MDL No:MFCD19441062
Product Description
Catalog Number:
AG000CDB
Chemical Name:
2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3,4-dihydro-7-methoxy-, (S)- (9CI)
CAS Number:
116384-26-0
Molecular Formula:
C18H20O4
Molecular Weight:
300.3490
MDL Number:
MFCD19441062
IUPAC Name:
(2S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene
InChI:
InChI=1S/C18H20O4/c1-19-14-7-4-12-5-8-15(22-17(12)11-14)13-6-9-16(20-2)18(10-13)21-3/h4,6-7,9-11,15H,5,8H2,1-3H3/t15-/m0/s1
InChI Key:
MZTMCSKWSQDRAX-HNNXBMFYSA-N
SMILES:
COc1ccc2c(c1)O[C@@H](CC2)c1ccc(c(c1)OC)OC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.354g/mol
Monoisotopic Mass:
300.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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