Home Carboxys 4-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

4-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid

CAS No.:
1781334-49-3
Catalog Number:
AG01BR2X
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
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Product Description
Catalog Number:
AG01BR2X
Chemical Name:
4-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CAS Number:
1781334-49-3
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
MDL Number:
MFCD30502203
IUPAC Name:
4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
InChI:
InChI=1S/C10H10O2/c1-6-2-3-7-5-9(10(11)12)8(7)4-6/h2-4,9H,5H2,1H3,(H,11,12)
InChI Key:
ZJCGNJOZSMGECN-UHFFFAOYSA-N
SMILES:
Cc1cc2C(Cc2cc1)C(=O)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties