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2018-85-1 | 2-Furanacetic acid, tetrahydro-, methyl ester
CAS No: 2018-85-1 Catalog No: AG0027UL MDL No:MFCD08445340
Product Description
Catalog Number:
AG0027UL
Chemical Name:
2-Furanacetic acid, tetrahydro-, methyl ester
CAS Number:
2018-85-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD08445340
IUPAC Name:
methyl 2-(oxolan-2-yl)acetate
InChI:
InChI=1S/C7H12O3/c1-9-7(8)5-6-3-2-4-10-6/h6H,2-5H2,1H3
InChI Key:
XLMRNEKONLWKAP-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCCO1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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