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14590-54-6

14590-54-6 | 1,2-Cyclopropanedicarboxylic acid, (1S,2S)-

CAS No: 14590-54-6 Catalog No: AG001DI0 MDL No:MFCD00034639

Product Description

Catalog Number:
AG001DI0
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, (1S,2S)-
CAS Number:
14590-54-6
Molecular Formula:
C5H6O4
Molecular Weight:
130.0987
MDL Number:
MFCD00034639
IUPAC Name:
(1S,2S)-cyclopropane-1,2-dicarboxylic acid
InChI:
InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3-/m0/s1
InChI Key:
RLWFMZKPPHHHCB-HRFVKAFMSA-N
SMILES:
OC(=O)[C@H]1C[C@@H]1C(=O)O

Properties

Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
130.027g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.099g/mol
Monoisotopic Mass:
130.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  

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