Home Carboxys 1-methyl-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid

1-methyl-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid

CAS No.:
1803570-83-3
Catalog Number:
AG01BBEJ
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01BBEJ
Chemical Name:
1-methyl-1H,1aH,6H,6aH-cyclopropa[a]indene-1-carboxylic acid
CAS Number:
1803570-83-3
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD24514574
IUPAC Name:
1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxylic acid
InChI:
InChI=1S/C12H12O2/c1-12(11(13)14)9-6-7-4-2-3-5-8(7)10(9)12/h2-5,9-10H,6H2,1H3,(H,13,14)
InChI Key:
GLJUOVMZDLCEIZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)C2C1c1c(C2)cccc1
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties