Name: Name:5-(4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
Brand: Angene
SKU: AG01A6SM
Rating: 90 (10 reviews)

5-(4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid

CAS No.:

31526-44-0

Catalog Number:

AG01A6SM

Molecular Formula:

C14H18O4

Molecular Weight:

250.2903

Catalog Number:

AG01A6SM

Chemical Name:

5-(4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid

CAS Number:

31526-44-0

Molecular Formula:

C14H18O4

Molecular Weight:

250.2903

MDL Number:

MFCD17145537

IUPAC Name:

5-(4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid

InChI:

InChI=1S/C14H18O4/c1-14(2,9-13(16)17)8-12(15)10-4-6-11(18-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,16,17)

InChI Key:

ZLNJJIBOWYMMOG-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=O)CC(CC(=O)O)(C)C

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.294g/mol

Monoisotopic Mass:

250.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2