Home Carboxys rac-(1R,2R)-2-(3-cyanophenyl)cyclopropane-1-carboxylic acid, trans

rac-(1R,2R)-2-(3-cyanophenyl)cyclopropane-1-carboxylic acid, trans

CAS No.:
705250-93-7
Catalog Number:
AG01C306
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
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Product Description
Catalog Number:
AG01C306
Chemical Name:
rac-(1R,2R)-2-(3-cyanophenyl)cyclopropane-1-carboxylic acid, trans
CAS Number:
705250-93-7
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD29912943
IUPAC Name:
(1S,2R)-2-(3-cyanophenyl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H9NO2/c12-6-7-2-1-3-8(4-7)9-5-10(9)11(13)14/h1-4,9-10H,5H2,(H,13,14)/t9-,10-/m0/s1
InChI Key:
JEPNFLRZCVLACW-UWVGGRQHSA-N
SMILES:
N#Cc1cccc(c1)[C@@H]1C[C@H]1C(=O)O
Properties
Complexity:
291  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties