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816462-96-1 | Carbonic acid, 1,1-dimethyl-4-(2-propynyloxy)-2-butynyl methyl ester
CAS No: 816462-96-1 Catalog No: AG00584D MDL No:
Product Description
Catalog Number:
AG00584D
Chemical Name:
Carbonic acid, 1,1-dimethyl-4-(2-propynyloxy)-2-butynyl methyl ester
CAS Number:
816462-96-1
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
methyl (2-methyl-5-prop-2-ynoxypent-3-yn-2-yl) carbonate
InChI:
InChI=1S/C11H14O4/c1-5-8-14-9-6-7-11(2,3)15-10(12)13-4/h1H,8-9H2,2-4H3
InChI Key:
LCJUVDUBSQMSEY-UHFFFAOYSA-N
SMILES:
C#CCOCC#CC(OC(=O)OC)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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