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754984-52-6 | 4-Pentynoic acid, 5-phenyl-2-(phenylmethylene)-, methyl ester
CAS No: 754984-52-6 Catalog No: AG005K6H MDL No:
Product Description
Catalog Number:
AG005K6H
Chemical Name:
4-Pentynoic acid, 5-phenyl-2-(phenylmethylene)-, methyl ester
CAS Number:
754984-52-6
Molecular Formula:
C19H16O2
Molecular Weight:
276.3291
IUPAC Name:
methyl 2-benzylidene-5-phenylpent-4-ynoate
InChI:
InChI=1S/C19H16O2/c1-21-19(20)18(15-17-11-6-3-7-12-17)14-8-13-16-9-4-2-5-10-16/h2-7,9-12,15H,14H2,1H3
InChI Key:
MAHWBIOVTIXSFF-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccccc1)CC#Cc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.115g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.335g/mol
Monoisotopic Mass:
276.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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