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13678-61-0 | Butanoic acid,2-methyl-, 2-furanylmethyl ester
CAS No: 13678-61-0 Catalog No: AG0012CX MDL No:
Product Description
Catalog Number:
AG0012CX
Chemical Name:
Butanoic acid,2-methyl-, 2-furanylmethyl ester
CAS Number:
13678-61-0
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
furan-2-ylmethyl 2-methylbutanoate
InChI:
InChI=1S/C10H14O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChI Key:
FWHTZOMSKMABHQ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OCc1ccco1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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