Home Other Building Blocks 2-{bicyclo[3.1.0]hexan-2-yl}acetic acid

2-{bicyclo[3.1.0]hexan-2-yl}acetic acid

CAS No.:
1375088-03-1
Catalog Number:
AG01C1F5
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
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Product Description
Catalog Number:
AG01C1F5
Chemical Name:
2-{bicyclo[3.1.0]hexan-2-yl}acetic acid
CAS Number:
1375088-03-1
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD24499244
IUPAC Name:
2-(2-bicyclo[3.1.0]hexanyl)acetic acid
InChI:
InChI=1S/C8H12O2/c9-8(10)4-6-2-1-5-3-7(5)6/h5-7H,1-4H2,(H,9,10)
InChI Key:
GNNCMDYYBLMWKB-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCC2C1C2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties