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89510-38-3 | 1,2-Naphthalenediol, 4-(3-methyl-2-butenyl)-, diacetate
CAS No: 89510-38-3 Catalog No: AG004134 MDL No:
Product Description
Catalog Number:
AG004134
Chemical Name:
1,2-Naphthalenediol, 4-(3-methyl-2-butenyl)-, diacetate
CAS Number:
89510-38-3
Molecular Formula:
C19H24O6
Molecular Weight:
348.3903
IUPAC Name:
acetic acid;4-(3-methylbut-2-enyl)naphthalene-1,2-diol
InChI:
InChI=1S/C15H16O2.2C2H4O2/c1-10(2)7-8-11-9-14(16)15(17)13-6-4-3-5-12(11)13;2*1-2(3)4/h3-7,9,16-17H,8H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
GRIRKQAVMCHOIO-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc(O)c(c2c1cccc2)O)C.CC(=O)O.CC(=O)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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