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130078-03-4 | 2H-1-Benzopyran-6-ol, 2-(3-chloropropyl)-3,4-dihydro-2,5,7,8-tetramethyl-
CAS No: 130078-03-4 Catalog No: AG000TZV MDL No:
Product Description
Catalog Number:
AG000TZV
Chemical Name:
2H-1-Benzopyran-6-ol, 2-(3-chloropropyl)-3,4-dihydro-2,5,7,8-tetramethyl-
CAS Number:
130078-03-4
Molecular Formula:
C16H23ClO2
Molecular Weight:
282.8056
IUPAC Name:
2-(3-chloropropyl)-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-ol
InChI:
InChI=1S/C16H23ClO2/c1-10-11(2)15-13(12(3)14(10)18)6-8-16(4,19-15)7-5-9-17/h18H,5-9H2,1-4H3
InChI Key:
APTOFCGQYPRQPD-UHFFFAOYSA-N
SMILES:
ClCCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.139g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.808g/mol
Monoisotopic Mass:
282.139g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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