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148261-95-4 | 1,2-Cyclopropanedicarboxylic acid, 1-methyl-, (1R,2S)-
CAS No: 148261-95-4 Catalog No: AG001FL0 MDL No:
Product Description
Catalog Number:
AG001FL0
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 1-methyl-, (1R,2S)-
CAS Number:
148261-95-4
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
IUPAC Name:
(1R,2S)-1-methylcyclopropane-1,2-dicarboxylic acid
InChI:
InChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)/t3-,6-/m1/s1
InChI Key:
CUXGZYHWQYTLKE-AWFVSMACSA-N
SMILES:
OC(=O)[C@H]1C[C@@]1(C)C(=O)O
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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