Phenylmaleic Anhydride - CAS 36122-35-7

Catalog:	BB022871
Product Name:	Phenylmaleic Anhydride
CAS:	36122-35-7
Synonyms:	3-phenylfuran-2,5-dione; 3-phenylfuran-2,5-dione

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Computed Properties

IUPAC Name:	3-phenylfuran-2,5-dione
Description:	Phenylmaleic Anhydride (CAS# 36122-35-7) is a useful research chemical.
Molecular Weight:	174.15
Molecular Formula:	C10H6O3
Canonical SMILES:	C1=CC=C(C=C1)C2=CC(=O)OC2=O
InChI:	InChI=1S/C10H6O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6H
InChI Key:	QZYCWJVSPFQUQC-UHFFFAOYSA-N
Boiling Point:	341.6 °C at 760 mmHg
Melting Point:	120-122 °C (lit.)
Purity:	99 %
Density:	1.358 g/cm³
MDL:	MFCD00015472
LogP:	1.15340

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GHS Hazard Statement:	H302 (90.38%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.031694049
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5