Home Carboxys rac-(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid, trans

rac-(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid, trans

CAS No.:
1909294-10-5
Catalog Number:
AG01C2B2
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG01C2B2
Chemical Name:
rac-(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid, trans
CAS Number:
1909294-10-5
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD29049181
IUPAC Name:
(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H10O2S/c1-5-2-3-8(12-5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
FQKROEPGEPPLKM-RQJHMYQMSA-N
SMILES:
Cc1ccc(s1)[C@@H]1C[C@H]1C(=O)O
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties