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20637-36-9 | 1-Propanol, 3-methoxy-2,2-bis(methoxymethyl)-
CAS No: 20637-36-9 Catalog No: AG002IGR MDL No:
Product Description
Catalog Number:
AG002IGR
Chemical Name:
1-Propanol, 3-methoxy-2,2-bis(methoxymethyl)-
CAS Number:
20637-36-9
Molecular Formula:
C8H18O4
Molecular Weight:
178.2261
IUPAC Name:
3-methoxy-2,2-bis(methoxymethyl)propan-1-ol
InChI:
InChI=1S/C8H18O4/c1-10-5-8(4-9,6-11-2)7-12-3/h9H,4-7H2,1-3H3
InChI Key:
RNDZFNZUJTYGES-UHFFFAOYSA-N
SMILES:
COCC(COC)(COC)CO
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.228g/mol
Monoisotopic Mass:
178.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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