Home Carboxys 1,2-Cyclopropanedicarboxylic acid, 1-butyl ester, (1S,2R)-rel-

1,2-Cyclopropanedicarboxylic acid, 1-butyl ester, (1S,2R)-rel-

CAS No.:
2055841-08-0
Catalog Number:
AG002A85
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
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Product Description
Catalog Number:
AG002A85
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 1-butyl ester, (1S,2R)-rel-
CAS Number:
2055841-08-0
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
MDL Number:
MFCD30492195
IUPAC Name:
(1R,2S)-2-butoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-2-3-4-13-9(12)7-5-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
DJSPVAXZXBCUSV-RQJHMYQMSA-N
SMILES:
[O-]C(=O)[C@@H]1C[C@@H]1C(=O)OCCCC
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties