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138741-39-6 | 1-Butanol, 3,3-dimethyl-2-[(phenylmethoxy)methyl]-
CAS No: 138741-39-6 Catalog No: AG0019G2 MDL No:
Product Description
Catalog Number:
AG0019G2
Chemical Name:
1-Butanol, 3,3-dimethyl-2-[(phenylmethoxy)methyl]-
CAS Number:
138741-39-6
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
IUPAC Name:
3,3-dimethyl-2-(phenylmethoxymethyl)butan-1-ol
InChI:
InChI=1S/C14H22O2/c1-14(2,3)13(9-15)11-16-10-12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3
InChI Key:
SJQSLQDGSUHBDE-UHFFFAOYSA-N
SMILES:
OCC(C(C)(C)C)COCc1ccccc1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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