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113522-74-0 | 1-Butanol, 2-methylene-4-(phenylmethoxy)-
CAS No: 113522-74-0 Catalog No: AG0008VG MDL No:
Product Description
Catalog Number:
AG0008VG
Chemical Name:
1-Butanol, 2-methylene-4-(phenylmethoxy)-
CAS Number:
113522-74-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-methylidene-4-phenylmethoxybutan-1-ol
InChI:
InChI=1S/C12H16O2/c1-11(9-13)7-8-14-10-12-5-3-2-4-6-12/h2-6,13H,1,7-10H2
InChI Key:
WJRFMEFSYATRFI-UHFFFAOYSA-N
SMILES:
OCC(=C)CCOCc1ccccc1
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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