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14396-73-7 | Propanoic acid, 2-hydroxy-, 2-hydroxypropyl ester
CAS No: 14396-73-7 Catalog No: AG001INX MDL No:
Product Description
Catalog Number:
AG001INX
Chemical Name:
Propanoic acid, 2-hydroxy-, 2-hydroxypropyl ester
CAS Number:
14396-73-7
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
IUPAC Name:
2-hydroxypropyl 2-hydroxypropanoate
InChI:
InChI=1S/C6H12O4/c1-4(7)3-10-6(9)5(2)8/h4-5,7-8H,3H2,1-2H3
InChI Key:
RJQYORITUSNLNB-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C(O)C)O
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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