Monobenzyl phthalate

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Catalog Number
ACM2528167-2
Product Name
Monobenzyl phthalate
Structure
Structure
CAS
2528-16-7
Category
Heterocyclic Organic Compound
Synonyms
Benzyl hydrogen phthalate
IUPAC Name
2-Phenylmethoxycarbonylbenzoic acid
Molecular Weight
256.25
Molecular Formula
C15H12O4
Canonical SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChI Key
XIKIUQUXDNHBFR-UHFFFAOYSA-N
Boiling Point
359.49 °C
Melting Point
106 °C
Density
1.2390 g/cm3
Appearance
White Solid
Complexity
320
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
256.07355886
Formal Charge
0
Heavy Atom Count
19
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Isotope Atom Count
0
Monoisotopic Mass
256.07355886
Physical State
Solid
Rotatable Bond Count
5
Topological Polar Surface Area
63.6 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
MSDS
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COA
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Spec Sheet
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