Name: Name:3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid
Brand: Angene
SKU: AG006M5U
Rating: 90 (10 reviews)

3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid

CAS No.:

66410-67-1

Catalog Number:

AG006M5U

Molecular Formula:

C10H10O4

Molecular Weight:

194.1840

Catalog Number:

AG006M5U

Chemical Name:

3,4-Dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid

CAS Number:

66410-67-1

Molecular Formula:

C10H10O4

Molecular Weight:

194.1840

MDL Number:

MFCD03783556

IUPAC Name:

3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

InChI:

InChI=1S/C10H10O4/c11-10(12)7-3-1-4-8-9(7)14-6-2-5-13-8/h1,3-4H,2,5-6H2,(H,11,12)

InChI Key:

XUXFXVMZIJMUIO-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc2c1OCCCO2

EC Number:

266-350-3

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.186g/mol

Monoisotopic Mass:

194.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5