Home Carboxys (1S,2S)-2-(Ethoxycarbonyl)cyclopropanecarboxylic acid

(1S,2S)-2-(Ethoxycarbonyl)cyclopropanecarboxylic acid

CAS No.:
175415-95-9
Catalog Number:
AG00AXQ1
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
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Product Description
Catalog Number:
AG00AXQ1
Chemical Name:
(1S,2S)-2-(Ethoxycarbonyl)cyclopropanecarboxylic acid
CAS Number:
175415-95-9
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD18089853
IUPAC Name:
(1S,2S)-2-ethoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C7H10O4/c1-2-11-7(10)5-3-4(5)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)/t4-,5-/m0/s1
InChI Key:
BRVQFDJETHFEQY-WHFBIAKZSA-N
SMILES:
CCOC(=O)[C@H]1C[C@@H]1C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties