Home Other Building Blocks 1,2,3-Propanetriol, monoacetate

1,2,3-Propanetriol, monoacetate

CAS No.:
26446-35-5
Catalog Number:
AG002T8X
Molecular Formula:
C5H12O5
Molecular Weight:
152.1458
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Product Description
Catalog Number:
AG002T8X
Chemical Name:
1,2,3-Propanetriol, monoacetate
CAS Number:
26446-35-5
Molecular Formula:
C5H12O5
Molecular Weight:
152.1458
IUPAC Name:
2,3-dihydroxypropyl acetate
InChI:
InChI=1S/C5H10O4/c1-4(7)9-3-5(8)2-6/h5-6,8H,2-3H2,1H3
InChI Key:
KMZHZAAOEWVPSE-UHFFFAOYSA-N
SMILES:
CC(=O)O.OCC(CO)O
NSC Number:
35010
Properties
Complexity:
91  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
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