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100449-58-9 | Pyrrolidine, 3,4-bis(methoxymethoxy)-2-[(4-methoxyphenyl)methyl]- (9CI)
CAS No: 100449-58-9 Catalog No: AG0001ZY MDL No:
Product Description
Catalog Number:
AG0001ZY
Chemical Name:
Pyrrolidine, 3,4-bis(methoxymethoxy)-2-[(4-methoxyphenyl)methyl]- (9CI)
CAS Number:
100449-58-9
Molecular Formula:
C16H25NO5
Molecular Weight:
311.3734
IUPAC Name:
3,4-bis(methoxymethoxy)-2-[(4-methoxyphenyl)methyl]pyrrolidine
InChI:
InChI=1S/C16H25NO5/c1-18-10-21-15-9-17-14(16(15)22-11-19-2)8-12-4-6-13(20-3)7-5-12/h4-7,14-17H,8-11H2,1-3H3
InChI Key:
YZGFKXGNHHJDFL-UHFFFAOYSA-N
SMILES:
COCOC1C(OCOC)CNC1Cc1ccc(cc1)OC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.378g/mol
Monoisotopic Mass:
311.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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