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86831-83-6 | 1-BUTOXY-3-(PHENYLMETHOXY)PROPAN-2-OL
CAS No: 86831-83-6 Catalog No: AG004IQW MDL No:
Product Description
Catalog Number:
AG004IQW
Chemical Name:
1-BUTOXY-3-(PHENYLMETHOXY)PROPAN-2-OL
CAS Number:
86831-83-6
Molecular Formula:
C14H22O3
Molecular Weight:
238.3227
IUPAC Name:
1-butoxy-3-phenylmethoxypropan-2-ol
InChI:
InChI=1S/C14H22O3/c1-2-3-9-16-11-14(15)12-17-10-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3
InChI Key:
ZMOVOCVQXFKQEA-UHFFFAOYSA-N
SMILES:
CCCCOCC(COCc1ccccc1)O
EC Number:
289-284-7
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.157g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.327g/mol
Monoisotopic Mass:
238.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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