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168415-01-8 | Benzene, [3-[(2Z)-2-buten-1-yloxy]-1-propyn-1-yl]-
CAS No: 168415-01-8 Catalog No: AG001Y21 MDL No:
Product Description
Catalog Number:
AG001Y21
Chemical Name:
Benzene, [3-[(2Z)-2-buten-1-yloxy]-1-propyn-1-yl]-
CAS Number:
168415-01-8
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
3-but-2-enoxyprop-1-ynylbenzene
InChI:
InChI=1S/C13H14O/c1-2-3-11-14-12-7-10-13-8-5-4-6-9-13/h2-6,8-9H,11-12H2,1H3
InChI Key:
DNSNVXRQBOWFTM-UHFFFAOYSA-N
SMILES:
C/C=C\COCC#Cc1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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