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89510-52-1 | 1,2-Naphthalenediol, 4-(2-butenyl)-3-ethyl-, diacetate
CAS No: 89510-52-1 Catalog No: AG00417L MDL No:
Product Description
Catalog Number:
AG00417L
Chemical Name:
1,2-Naphthalenediol, 4-(2-butenyl)-3-ethyl-, diacetate
CAS Number:
89510-52-1
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
acetic acid;4-but-2-enyl-3-ethylnaphthalene-1,2-diol
InChI:
InChI=1S/C16H18O2.2C2H4O2/c1-3-5-8-12-11(4-2)15(17)16(18)14-10-7-6-9-13(12)14;2*1-2(3)4/h3,5-7,9-10,17-18H,4,8H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
ATAQLOIZRHBQCL-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.CC=CCc1c(CC)c(O)c(c2c1cccc2)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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