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126971-32-2 | 1,3-Dioxolane-4-carboxylic acid, 2,2,4-trimethyl-, (S)- (9CI)
CAS No: 126971-32-2 Catalog No: AG000WHT MDL No:
Product Description
Catalog Number:
AG000WHT
Chemical Name:
1,3-Dioxolane-4-carboxylic acid, 2,2,4-trimethyl-, (S)- (9CI)
CAS Number:
126971-32-2
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
(4S)-2,2,4-trimethyl-1,3-dioxolane-4-carboxylic acid
InChI:
InChI=1S/C7H12O4/c1-6(2)10-4-7(3,11-6)5(8)9/h4H2,1-3H3,(H,8,9)/t7-/m0/s1
InChI Key:
CMDDZYSUXXCVMS-ZETCQYMHSA-N
SMILES:
OC(=O)[C@]1(C)COC(O1)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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