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7493-78-9 | 1-Heptanol,2-(phenylmethylene)-, 1-acetate
CAS No: 7493-78-9 Catalog No: AG0057ZL MDL No:
Product Description
Catalog Number:
AG0057ZL
Chemical Name:
1-Heptanol,2-(phenylmethylene)-, 1-acetate
CAS Number:
7493-78-9
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
[(2E)-2-benzylideneheptyl] acetate
InChI:
InChI=1S/C16H22O2/c1-3-4-6-11-16(13-18-14(2)17)12-15-9-7-5-8-10-15/h5,7-10,12H,3-4,6,11,13H2,1-2H3/b16-12+
InChI Key:
CMJSVJIGLBDCME-FOWTUZBSSA-N
SMILES:
CCCCCC(=Cc1ccccc1)COC(=O)C
EC Number:
231-339-4
UNII:
F2PZ1U43HO
FEMA Number:
2064
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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