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4609-10-3 | 5-(4-methoxyphenyl)-5-oxopentanoic acid
CAS No: 4609-10-3 Catalog No: AG00DD9U MDL No:MFCD00021789
Product Description
Catalog Number:
AG00DD9U
Chemical Name:
5-(4-methoxyphenyl)-5-oxopentanoic acid
CAS Number:
4609-10-3
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00021789
IUPAC Name:
5-(4-methoxyphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C12H14O4/c1-16-10-7-5-9(6-8-10)11(13)3-2-4-12(14)15/h5-8H,2-4H2,1H3,(H,14,15)
InChI Key:
UAMMMFTXGWKQLG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CCCC(=O)O
NSC Number:
105618
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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