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126953-08-0 | 1,3-Propanediol, 2-methoxy-, monoacetate, (S)- (9CI)
CAS No: 126953-08-0 Catalog No: AG000WH7 MDL No:
Product Description
Catalog Number:
AG000WH7
Chemical Name:
1,3-Propanediol, 2-methoxy-, monoacetate, (S)- (9CI)
CAS Number:
126953-08-0
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
[(2S)-3-hydroxy-2-methoxypropyl] acetate
InChI:
InChI=1S/C6H12O4/c1-5(8)10-4-6(3-7)9-2/h6-7H,3-4H2,1-2H3/t6-/m0/s1
InChI Key:
HRNRNKPTWVUKBB-LURJTMIESA-N
SMILES:
CO[C@H](COC(=O)C)CO
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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