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88880-16-4 | 2H-1-Benzopyran-5-ol, 3,4-dihydro-4-[(2-hydroxypropyl)imino]-7-pentyl-
CAS No: 88880-16-4 Catalog No: AG0049XY MDL No:
Product Description
Catalog Number:
AG0049XY
Chemical Name:
2H-1-Benzopyran-5-ol, 3,4-dihydro-4-[(2-hydroxypropyl)imino]-7-pentyl-
CAS Number:
88880-16-4
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
IUPAC Name:
4-(2-hydroxypropylimino)-7-pentyl-2,3-dihydrochromen-5-ol
InChI:
InChI=1S/C17H25NO3/c1-3-4-5-6-13-9-15(20)17-14(18-11-12(2)19)7-8-21-16(17)10-13/h9-10,12,19-20H,3-8,11H2,1-2H3
InChI Key:
RZXDAAYYCXJWEE-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(O)c2c(c1)OCCC2=NCC(O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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