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7515-24-4 | 2-Propynoic acid, 3-(3-methoxyphenyl)-, methyl ester
CAS No: 7515-24-4 Catalog No: AG005E2V MDL No:MFCD20347268
Product Description
Catalog Number:
AG005E2V
Chemical Name:
2-Propynoic acid, 3-(3-methoxyphenyl)-, methyl ester
CAS Number:
7515-24-4
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD20347268
IUPAC Name:
methyl 3-(3-methoxyphenyl)prop-2-ynoate
InChI:
InChI=1S/C11H10O3/c1-13-10-5-3-4-9(8-10)6-7-11(12)14-2/h3-5,8H,1-2H3
InChI Key:
FVVPDJXVBMHTOK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C#CC(=O)OC
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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