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79493-91-7 | 2-Propyn-1-ol, carbonate (2:1)
CAS No: 79493-91-7 Catalog No: AG0051TE MDL No:
Product Description
Catalog Number:
AG0051TE
Chemical Name:
2-Propyn-1-ol, carbonate (2:1)
CAS Number:
79493-91-7
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
IUPAC Name:
carbonic acid;prop-2-yn-1-ol
InChI:
InChI=1S/2C3H4O.CH2O3/c2*1-2-3-4;2-1(3)4/h2*1,4H,3H2;(H2,2,3,4)
InChI Key:
PIDISQVJJCBEAX-UHFFFAOYSA-N
SMILES:
OC(=O)O.OCC#C.OCC#C
Properties
Complexity:
64.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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