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816462-94-9 | Carbonic acid, methyl 4-(2-propynyloxy)-2-butynyl ester
CAS No: 816462-94-9 Catalog No: AG0051CQ MDL No:
Product Description
Catalog Number:
AG0051CQ
Chemical Name:
Carbonic acid, methyl 4-(2-propynyloxy)-2-butynyl ester
CAS Number:
816462-94-9
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
IUPAC Name:
methyl 4-prop-2-ynoxybut-2-ynyl carbonate
InChI:
InChI=1S/C9H10O4/c1-3-6-12-7-4-5-8-13-9(10)11-2/h1H,6-8H2,2H3
InChI Key:
NWWOFACRSXTYNN-UHFFFAOYSA-N
SMILES:
C#CCOCC#CCOC(=O)OC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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