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865191-26-0 | 2-Hexene-1,4-diol, 6-phenyl-, diacetate, (2E)-
CAS No: 865191-26-0 Catalog No: AG004PSZ MDL No:
Product Description
Catalog Number:
AG004PSZ
Chemical Name:
2-Hexene-1,4-diol, 6-phenyl-, diacetate, (2E)-
CAS Number:
865191-26-0
Molecular Formula:
C16H24O6
Molecular Weight:
312.3582
IUPAC Name:
acetic acid;6-phenylhex-2-ene-1,4-diol
InChI:
InChI=1S/C12H16O2.2C2H4O2/c13-10-4-7-12(14)9-8-11-5-2-1-3-6-11;2*1-2(3)4/h1-7,12-14H,8-10H2;2*1H3,(H,3,4)
InChI Key:
XLCWMYXKBMFQJB-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OC/C=C/C(CCc1ccccc1)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
312.362g/mol
Monoisotopic Mass:
312.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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