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862591-92-2 | 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-(2-propenyl)-, (4S,5R)-
CAS No: 862591-92-2 Catalog No: AG004JHC MDL No:
Product Description
Catalog Number:
AG004JHC
Chemical Name:
1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-5-(2-propenyl)-, (4S,5R)-
CAS Number:
862591-92-2
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
(4S,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C9H14O4/c1-4-5-6-7(8(10)11)13-9(2,3)12-6/h4,6-7H,1,5H2,2-3H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
SYPCMGXYPNNFQC-RQJHMYQMSA-N
SMILES:
C=CC[C@H]1OC(O[C@@H]1C(=O)O)(C)C
Properties
Complexity:
222
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:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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