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820237-17-0 | Benzaldehyde,2,3-dimethyl-4-(1-pentyn-1-yl)-
CAS No: 820237-17-0 Catalog No: AG005D9B MDL No:
Product Description
Catalog Number:
AG005D9B
Chemical Name:
Benzaldehyde,2,3-dimethyl-4-(1-pentyn-1-yl)-
CAS Number:
820237-17-0
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
2,3-dimethyl-4-pent-1-ynylbenzaldehyde
InChI:
InChI=1S/C14H16O/c1-4-5-6-7-13-8-9-14(10-15)12(3)11(13)2/h8-10H,4-5H2,1-3H3
InChI Key:
HFHCVXHJXIIWQR-UHFFFAOYSA-N
SMILES:
Cc1c(ccc(c1C)C=O)C#CCCC
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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