CAS 847480-87-9

Formula: C14H18O4

InChI: InChI=1S/C14H18O4/c15-13(16)9-4-10-14(17)18-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)

InChI key: FHZZJODNIQXLLC-UHFFFAOYSA-N

SMILES: C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)O

5-Oxo-5-(3-phenylpropoxy)pentanoicacid

CAS: 847480-87-9

Complexity 257
Compound Is Canonicalized Yes
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Exact Mass 250.121g/mol
Formal Charge 0
Heavy Atom Count 18
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
Isotope Atom Count 0
Molecular Weight 250.294g/mol
Monoisotopic Mass 250.121g/mol
Rotatable Bond Count 9
Topological Polar Surface Area 63.6A^2
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
XLogP3 2.3

Formula: C14H18O4

Molecular weight: 250.2900

Ref: IN-DA01FOAY

5-Oxo-5-(3-phenylpropoxy)pentanoic acid

CAS: 847480-87-9

5-Oxo-5-(3-phenylpropoxy)pentanoic acid

Purity: 98%

Molecular weight: 250.2940063

Ref: 10-F752452