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102045-96-5 | 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, (4S)-
CAS No: 102045-96-5 Catalog No: AG0006G1 MDL No:MFCD09952018
Product Description
Catalog Number:
AG0006G1
Chemical Name:
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, (4S)-
CAS Number:
102045-96-5
Molecular Formula:
C6H10O4
Molecular Weight:
146.1412
MDL Number:
MFCD09952018
IUPAC Name:
(4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C6H10O4/c1-6(2)9-3-4(10-6)5(7)8/h4H,3H2,1-2H3,(H,7,8)/t4-/m0/s1
InChI Key:
OZPFVBLDYBXHAF-BYPYZUCNSA-N
SMILES:
OC(=O)[C@@H]1COC(O1)(C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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