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

1,2,3-Propanetriol, 1,2-diacetate

CAS No.:
102-62-5
Catalog Number:
AG00068E
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
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Purity
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Product Description
Catalog Number:
AG00068E
Chemical Name:
1,2,3-Propanetriol, 1,2-diacetate
CAS Number:
102-62-5
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
MDL Number:
MFCD00040498
IUPAC Name:
(2-acetyloxy-3-hydroxypropyl) acetate
InChI:
InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3
InChI Key:
UXDDRFCJKNROTO-UHFFFAOYSA-N
SMILES:
OCC(OC(=O)C)COC(=O)C
NSC Number:
2348
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
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Properties