Name: Name:1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
Brand: Angene
SKU: AG01BJ2K
Rating: 90 (10 reviews)

1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid

CAS No.:

936727-94-5

Catalog Number:

AG01BJ2K

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

Catalog Number:

AG01BJ2K

Chemical Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid

CAS Number:

936727-94-5

Molecular Formula:

C12H12O4

Molecular Weight:

220.2213

MDL Number:

MFCD11104285

IUPAC Name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid

InChI:

InChI=1S/C12H12O4/c13-11(14)12(3-4-12)8-1-2-9-10(7-8)16-6-5-15-9/h1-2,7H,3-6H2,(H,13,14)

InChI Key:

QVXPITFURMQHIV-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CC1)c1ccc2c(c1)OCCO2

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.224g/mol

Monoisotopic Mass:

220.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4