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202212-68-8 | 1,2-Cyclopropanedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (1R,2S)-rel-
CAS No: 202212-68-8 Catalog No: AG00284K MDL No:
Product Description
Catalog Number:
AG00284K
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (1R,2S)-rel-
CAS Number:
202212-68-8
Molecular Formula:
C9H13O4-
Molecular Weight:
185.1971
IUPAC Name:
(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-9(2,3)13-8(12)6-4-5(6)7(10)11/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6+/m0/s1
InChI Key:
IQIADELBDBDDAW-NTSWFWBYSA-N
SMILES:
O=C([C@@H]1C[C@@H]1C(=O)[O-])OC(C)(C)C
Properties
Complexity:
239
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:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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