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85607-72-3 | Benzoic acid, 2-methoxy-4-(2-propynyloxy)-, methyl ester
CAS No: 85607-72-3 Catalog No: AG004U4V MDL No:
Product Description
Catalog Number:
AG004U4V
Chemical Name:
Benzoic acid, 2-methoxy-4-(2-propynyloxy)-, methyl ester
CAS Number:
85607-72-3
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
methyl 2-methoxy-4-prop-2-ynoxybenzoate
InChI:
InChI=1S/C12H12O4/c1-4-7-16-9-5-6-10(12(13)15-3)11(8-9)14-2/h1,5-6,8H,7H2,2-3H3
InChI Key:
MOIJEPMLLZADFC-UHFFFAOYSA-N
SMILES:
C#CCOc1ccc(c(c1)OC)C(=O)OC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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