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141930-09-8 | 2-Cyclobuten-1-one, 4-(1,5-hexadiyn-1-yl)-2,3,4-trimethoxy-
CAS No: 141930-09-8 Catalog No: AG001HE4 MDL No:
Product Description
Catalog Number:
AG001HE4
Chemical Name:
2-Cyclobuten-1-one, 4-(1,5-hexadiyn-1-yl)-2,3,4-trimethoxy-
CAS Number:
141930-09-8
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
IUPAC Name:
4-hexa-1,5-diynyl-2,3,4-trimethoxycyclobut-2-en-1-one
InChI:
InChI=1S/C13H14O4/c1-5-6-7-8-9-13(17-4)11(14)10(15-2)12(13)16-3/h1H,6-7H2,2-4H3
InChI Key:
YCJZCMPXWRTKKF-UHFFFAOYSA-N
SMILES:
C#CCCC#CC1(OC)C(=O)C(=C1OC)OC
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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