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155299-59-5 | 1,3-Propanediol, 1-propanoate
CAS No: 155299-59-5 Catalog No: AG001NSU MDL No:
Product Description
Catalog Number:
AG001NSU
Chemical Name:
1,3-Propanediol, 1-propanoate
CAS Number:
155299-59-5
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
propane-1,3-diol;propanoic acid
InChI:
InChI=1S/C3H6O2.C3H8O2/c1-2-3(4)5;4-2-1-3-5/h2H2,1H3,(H,4,5);4-5H,1-3H2
InChI Key:
AUENZJJKBZPHPM-UHFFFAOYSA-N
SMILES:
OCCCOC(=O)CC
Properties
Complexity:
52.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
150.174g/mol
Monoisotopic Mass:
150.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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