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81748-55-2 | 1,2-Propanediol, 3-[(4-hydroxy-2-butynyl)oxy]-
CAS No: 81748-55-2 Catalog No: AG00517Y MDL No:
Product Description
Catalog Number:
AG00517Y
Chemical Name:
1,2-Propanediol, 3-[(4-hydroxy-2-butynyl)oxy]-
CAS Number:
81748-55-2
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
IUPAC Name:
3-(4-hydroxybut-2-ynoxy)propane-1,2-diol
InChI:
InChI=1S/C7H12O4/c8-3-1-2-4-11-6-7(10)5-9/h7-10H,3-6H2
InChI Key:
BLYYGISCCKUWFU-UHFFFAOYSA-N
SMILES:
OCC#CCOCC(CO)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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