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89203-72-5 | 1,4-Naphthalenedione, 2-(1-chloro-4-methyl-3-pentenyl)-5,8-dihydroxy-
CAS No: 89203-72-5 Catalog No: AG00446R MDL No:
Product Description
Catalog Number:
AG00446R
Chemical Name:
1,4-Naphthalenedione, 2-(1-chloro-4-methyl-3-pentenyl)-5,8-dihydroxy-
CAS Number:
89203-72-5
Molecular Formula:
C16H15ClO4
Molecular Weight:
306.7409
IUPAC Name:
2-(1-chloro-4-methylpent-3-enyl)-5,8-dihydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C16H15ClO4/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,18-19H,4H2,1-2H3
InChI Key:
NSFDGQXZSZNOFT-UHFFFAOYSA-N
SMILES:
CC(=CCC(C1=CC(=O)c2c(C1=O)c(O)ccc2O)Cl)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.742g/mol
Monoisotopic Mass:
306.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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