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245349-46-6 | Benzoic acid, 4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-
CAS No: 245349-46-6 Catalog No: AG002OFT MDL No:
Product Description
Catalog Number:
AG002OFT
Chemical Name:
Benzoic acid, 4-[3-[(1-oxo-2-propen-1-yl)oxy]propoxy]-
CAS Number:
245349-46-6
Molecular Formula:
C13H14O5
Molecular Weight:
250.2473
IUPAC Name:
4-(3-prop-2-enoyloxypropoxy)benzoic acid
InChI:
InChI=1S/C13H14O5/c1-2-12(14)18-9-3-8-17-11-6-4-10(5-7-11)13(15)16/h2,4-7H,1,3,8-9H2,(H,15,16)
InChI Key:
AHBWYWGJQFTBRO-UHFFFAOYSA-N
SMILES:
C=CC(=O)OCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.25g/mol
Monoisotopic Mass:
250.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Eutectic mesophase transitions and induced crystalline phase in mixtures of hexagonal columnar liquid crystal and mesogenic diacrylate. | The journal of physical chemistry. B 20101021 |
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