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89510-51-0 | 1,2-Naphthalenediol, 3-methoxy-4-(2-propenyl)-, diacetate
CAS No: 89510-51-0 Catalog No: AG0040SS MDL No:
Product Description
Catalog Number:
AG0040SS
Chemical Name:
1,2-Naphthalenediol, 3-methoxy-4-(2-propenyl)-, diacetate
CAS Number:
89510-51-0
Molecular Formula:
C18H22O7
Molecular Weight:
350.3631
IUPAC Name:
acetic acid;3-methoxy-4-prop-2-enylnaphthalene-1,2-diol
InChI:
InChI=1S/C14H14O3.2C2H4O2/c1-3-6-11-9-7-4-5-8-10(9)12(15)13(16)14(11)17-2;2*1-2(3)4/h3-5,7-8,15-16H,1,6H2,2H3;2*1H3,(H,3,4)
InChI Key:
CBQLPWSGZATSSC-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.C=CCc1c(OC)c(O)c(c2c1cccc2)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.137g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.367g/mol
Monoisotopic Mass:
350.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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