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20474-28-6 | 2,5-Furandione, dihydro-3-(1-methylethylidene)-4-(phenylmethylene)-
CAS No: 20474-28-6 Catalog No: AG0029OB MDL No:
Product Description
Catalog Number:
AG0029OB
Chemical Name:
2,5-Furandione, dihydro-3-(1-methylethylidene)-4-(phenylmethylene)-
CAS Number:
20474-28-6
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
3-benzylidene-4-propan-2-ylideneoxolane-2,5-dione
InChI:
InChI=1S/C14H12O3/c1-9(2)12-11(13(15)17-14(12)16)8-10-6-4-3-5-7-10/h3-8H,1-2H3
InChI Key:
NSQPGNXUAUHJKZ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)C(=C(C)C)C1=Cc1ccccc1
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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