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7517-81-9 | 2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester
CAS No: 7517-81-9 Catalog No: AG005DTY MDL No:MFCD03230764
Product Description
Catalog Number:
AG005DTY
Chemical Name:
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester
CAS Number:
7517-81-9
Molecular Formula:
C10H7ClO2
Molecular Weight:
194.6144
MDL Number:
MFCD03230764
IUPAC Name:
methyl 3-(2-chlorophenyl)prop-2-ynoate
InChI:
InChI=1S/C10H7ClO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,1H3
InChI Key:
ZFZAZEWQSDUUER-UHFFFAOYSA-N
SMILES:
COC(=O)C#Cc1ccccc1Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.614g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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