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123809-77-8 | 1,2-Cyclopropanedimethanol, 1-acetate, (1R,2S)-
CAS No: 123809-77-8 Catalog No: AG000L4N MDL No:
Product Description
Catalog Number:
AG000L4N
Chemical Name:
1,2-Cyclopropanedimethanol, 1-acetate, (1R,2S)-
CAS Number:
123809-77-8
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
acetic acid;[2-(hydroxymethyl)cyclopropyl]methanol
InChI:
InChI=1S/C5H10O2.C2H4O2/c6-2-4-1-5(4)3-7;1-2(3)4/h4-7H,1-3H2;1H3,(H,3,4)
InChI Key:
XPQLSIVFURFANT-UHFFFAOYSA-N
SMILES:
CC(=O)OC[C@@H]1C[C@@H]1CO
Properties
Complexity:
86.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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