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89510-10-1 | 1(2H)-Naphthalenone, 3-ethoxy-2-hydroxy-2-(2-propenyl)-
CAS No: 89510-10-1 Catalog No: AG00417Q MDL No:
Product Description
Catalog Number:
AG00417Q
Chemical Name:
1(2H)-Naphthalenone, 3-ethoxy-2-hydroxy-2-(2-propenyl)-
CAS Number:
89510-10-1
Molecular Formula:
C15H16O3
Molecular Weight:
244.2857
IUPAC Name:
3-ethoxy-2-hydroxy-2-prop-2-enylnaphthalen-1-one
InChI:
InChI=1S/C15H16O3/c1-3-9-15(17)13(18-4-2)10-11-7-5-6-8-12(11)14(15)16/h3,5-8,10,17H,1,4,9H2,2H3
InChI Key:
IKSGGABCTUYTMS-UHFFFAOYSA-N
SMILES:
CCOC1=Cc2ccccc2C(=O)C1(O)CC=C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.29g/mol
Monoisotopic Mass:
244.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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