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14590-53-5 | Cyclopropanecarboxylic acid, 2,2-dimethyl-, (1S)-
CAS No: 14590-53-5 Catalog No: AG001DI1 MDL No:MFCD08460918
Product Description
Catalog Number:
AG001DI1
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-, (1S)-
CAS Number:
14590-53-5
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD08460918
IUPAC Name:
(1S)-2,2-dimethylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H10O2/c1-6(2)3-4(6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m1/s1
InChI Key:
BFNMOMYTTGHNGJ-SCSAIBSYSA-N
SMILES:
OC(=O)[C@H]1CC1(C)C
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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