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854904-16-8 | 2,2-DIMETHYL-4-(NAPHTHALEN-1-YL)-4-OXOBUTYRIC ACID
CAS No: 854904-16-8 Catalog No: AG004N88 MDL No:
Product Description
Catalog Number:
AG004N88
Chemical Name:
2,2-DIMETHYL-4-(NAPHTHALEN-1-YL)-4-OXOBUTYRIC ACID
CAS Number:
854904-16-8
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
2,2-dimethyl-4-naphthalen-1-yl-4-oxobutanoic acid
InChI:
InChI=1S/C16H16O3/c1-16(2,15(18)19)10-14(17)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,10H2,1-2H3,(H,18,19)
InChI Key:
YCFUPRNLZWUAAJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(=O)c1cccc2c1cccc2)(C)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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