Home Carboxys 2,3-dihydrospiro[1-benzopyran-4,1'-cyclopropane]-3'-carboxylic acid

2,3-dihydrospiro[1-benzopyran-4,1'-cyclopropane]-3'-carboxylic acid

CAS No.:
1247429-55-5
Catalog Number:
AG01AKVH
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
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Product Description
Catalog Number:
AG01AKVH
Chemical Name:
2,3-dihydrospiro[1-benzopyran-4,1'-cyclopropane]-3'-carboxylic acid
CAS Number:
1247429-55-5
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD16744576
IUPAC Name:
spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylic acid
InChI:
InChI=1S/C12H12O3/c13-11(14)9-7-12(9)5-6-15-10-4-2-1-3-8(10)12/h1-4,9H,5-7H2,(H,13,14)
InChI Key:
JXJOMJKPHPZPAD-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC21CCOc1c2cccc1
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties