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16223-79-3 | 1,1-Cyclopropanediol, 1-acetate
CAS No: 16223-79-3 Catalog No: AG001SXD MDL No:
Product Description
Catalog Number:
AG001SXD
Chemical Name:
1,1-Cyclopropanediol, 1-acetate
CAS Number:
16223-79-3
Molecular Formula:
C5H8O3
Molecular Weight:
116.1152
IUPAC Name:
acetic acid;cyclopropane-1,1-diol
InChI:
InChI=1S/C3H6O2.C2H4O2/c4-3(5)1-2-3;1-2(3)4/h4-5H,1-2H2;1H3,(H,3,4)
InChI Key:
NNAPFBMMNHYXMN-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(O)CC1
Properties
Complexity:
73.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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