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3102-47-4 | 1-Propen-1-ol, 1-acetate, (1Z)-
CAS No: 3102-47-4 Catalog No: AG0031Y4 MDL No:
Product Description
Catalog Number:
AG0031Y4
Chemical Name:
1-Propen-1-ol, 1-acetate, (1Z)-
CAS Number:
3102-47-4
Molecular Formula:
C5H8O2
Molecular Weight:
100.1158
IUPAC Name:
acetic acid;prop-1-en-1-ol
InChI:
InChI=1S/C3H6O.C2H4O2/c1-2-3-4;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChI Key:
XQRZDJCVFPQWNP-UHFFFAOYSA-N
SMILES:
C/C=C\OC(=O)C
Properties
Complexity:
53.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
118.132g/mol
Monoisotopic Mass:
118.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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