Name: Name:4-(3,4-dimethylphenyl)oxane-4-carboxylic acid
Brand: Angene
SKU: AG01B1Z4
Rating: 90 (10 reviews)

4-(3,4-dimethylphenyl)oxane-4-carboxylic acid

CAS No.:

1489920-11-7

Catalog Number:

AG01B1Z4

Molecular Formula:

C14H18O3

Molecular Weight:

234.2909

Catalog Number:

AG01B1Z4

Chemical Name:

4-(3,4-dimethylphenyl)oxane-4-carboxylic acid

CAS Number:

1489920-11-7

Molecular Formula:

C14H18O3

Molecular Weight:

234.2909

MDL Number:

MFCD17141003

IUPAC Name:

4-(3,4-dimethylphenyl)oxane-4-carboxylic acid

InChI:

InChI=1S/C14H18O3/c1-10-3-4-12(9-11(10)2)14(13(15)16)5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3,(H,15,16)

InChI Key:

HKHYWOWHFRQNCZ-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCOCC1)c1ccc(c(c1)C)C

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.295g/mol

Monoisotopic Mass:

234.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3