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7515-16-4 | 2-Propynoic acid, 3-(4-methylphenyl)-, methyl ester
CAS No: 7515-16-4 Catalog No: AG005E2X MDL No:MFCD20347214
Product Description
Catalog Number:
AG005E2X
Chemical Name:
2-Propynoic acid, 3-(4-methylphenyl)-, methyl ester
CAS Number:
7515-16-4
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD20347214
IUPAC Name:
methyl 3-(4-methylphenyl)prop-2-ynoate
InChI:
InChI=1S/C11H10O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-6H,1-2H3
InChI Key:
DJGUBOLDIRLMDR-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccc(cc1)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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