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

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
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Product Description
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
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties