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130408-40-1 | 1,4-Butanediol, 2-methoxy-, (2R)-
CAS No: 130408-40-1 Catalog No: AG000UEC MDL No:
Product Description
Catalog Number:
AG000UEC
Chemical Name:
1,4-Butanediol, 2-methoxy-, (2R)-
CAS Number:
130408-40-1
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
IUPAC Name:
2-methoxybutane-1,4-diol
InChI:
InChI=1S/C5H12O3/c1-8-5(4-7)2-3-6/h5-7H,2-4H2,1H3
InChI Key:
BWVRAKJOMJIOQX-UHFFFAOYSA-N
SMILES:
OCC[C@H](CO)OC
Properties
Complexity:
46.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
120.148g/mol
Monoisotopic Mass:
120.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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