Home Other Building Blocks Methyl 3-(4-Methoxyphenyl)propiolate

Methyl 3-(4-Methoxyphenyl)propiolate

CAS No.:
7515-17-5
Catalog Number:
AG005QII
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG005QII
Chemical Name:
Methyl 3-(4-Methoxyphenyl)propiolate
CAS Number:
7515-17-5
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD13191991
IUPAC Name:
methyl 3-(4-methoxyphenyl)prop-2-ynoate
InChI:
InChI=1S/C11H10O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,1-2H3
InChI Key:
MIWQTCPRUGGBLM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C#CC(=O)OC
Properties
Complexity:
250  
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  
Properties