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10602-06-9 | Methyl 3-ethynylbenzoate
CAS No: 10602-06-9 Catalog No: AG0038ZN MDL No:MFCD08703579
Product Description
Catalog Number:
AG0038ZN
Chemical Name:
Methyl 3-ethynylbenzoate
CAS Number:
10602-06-9
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD08703579
IUPAC Name:
methyl 3-ethynylbenzoate
InChI:
InChI=1S/C10H8O2/c1-3-8-5-4-6-9(7-8)10(11)12-2/h1,4-7H,2H3
InChI Key:
DDXZMLZQQWVSRX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C#C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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