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Home > Other Building Blocks > 1791-38-4
1791-38-4 | 1,8-Naphthalenediol, 2,4-diacetyl-6-methyl- (7CI,8CI)
CAS No: 1791-38-4 Catalog No: AG0026SG MDL No:
Product Description
Catalog Number:
AG0026SG
Chemical Name:
1,8-Naphthalenediol, 2,4-diacetyl-6-methyl- (7CI,8CI)
CAS Number:
1791-38-4
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
1-(3-acetyl-4,5-dihydroxy-7-methylnaphthalen-1-yl)ethanone
InChI:
InChI=1S/C15H14O4/c1-7-4-12-10(8(2)16)6-11(9(3)17)15(19)14(12)13(18)5-7/h4-6,18-19H,1-3H3
InChI Key:
LMUCEZHMQJWKNT-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c2c(c1)c(cc(c2O)C(=O)C)C(=O)C
NSC Number:
139210
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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