Home Carboxys 1,2-Cyclopropanedicarboxylic acid, mono(phenylmethyl) ester, cis-

1,2-Cyclopropanedicarboxylic acid, mono(phenylmethyl) ester, cis-

CAS No.:
53229-58-6
Catalog Number:
AG00I9I0
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG00I9I0
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, mono(phenylmethyl) ester, cis-
CAS Number:
53229-58-6
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD29060207
IUPAC Name:
(1S,2R)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H12O4/c13-11(14)9-6-10(9)12(15)16-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,13,14)/t9-,10+/m0/s1
InChI Key:
PVARIGOXRLDYSP-VHSXEESVSA-N
SMILES:
O=C([C@@H]1C[C@@H]1C(=O)O)OCc1ccccc1
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties