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10087-36-2

10087-36-2 | 1,2-Propanedione, 1-(4-hydroxyphenyl)-

CAS No: 10087-36-2 Catalog No: AG00032Y MDL No:

Product Description

Catalog Number:
AG00032Y
Chemical Name:
1,2-Propanedione, 1-(4-hydroxyphenyl)-
CAS Number:
10087-36-2
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
1-(4-hydroxyphenyl)propane-1,2-dione
InChI:
InChI=1S/C9H8O3/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,11H,1H3
InChI Key:
PQRIZEYPOXNMDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)O)C(=O)C
NSC Number:
274952

Properties

Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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