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131190-10-8 | 6-Heptynoic acid, 2-acetyl-, methyl ester
CAS No: 131190-10-8 Catalog No: AG000VOX MDL No:
Product Description
Catalog Number:
AG000VOX
Chemical Name:
6-Heptynoic acid, 2-acetyl-, methyl ester
CAS Number:
131190-10-8
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
methyl 2-acetylhept-6-ynoate
InChI:
InChI=1S/C10H14O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h1,9H,5-7H2,2-3H3
InChI Key:
FPOXDQXIVZYROY-UHFFFAOYSA-N
SMILES:
C#CCCCC(C(=O)OC)C(=O)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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