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144487-15-0 | 2-Propen-1-ol, 3-methoxy-, 1-propanoate
CAS No: 144487-15-0 Catalog No: AG001JMP MDL No:
Product Description
Catalog Number:
AG001JMP
Chemical Name:
2-Propen-1-ol, 3-methoxy-, 1-propanoate
CAS Number:
144487-15-0
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
3-methoxyprop-2-en-1-ol;propanoic acid
InChI:
InChI=1S/C4H8O2.C3H6O2/c1-6-4-2-3-5;1-2-3(4)5/h2,4-5H,3H2,1H3;2H2,1H3,(H,4,5)
InChI Key:
WBISVQIJHADNFG-UHFFFAOYSA-N
SMILES:
COC=CCOC(=O)CC
Properties
Complexity:
81
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:
2
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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