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119245-13-5 | 6-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, methyl ester
CAS No: 119245-13-5 Catalog No: AG000IG4 MDL No:MFCD27942065
Product Description
Catalog Number:
AG000IG4
Chemical Name:
6-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, methyl ester
CAS Number:
119245-13-5
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD27942065
IUPAC Name:
methyl 6-oxabicyclo[3.1.0]hexane-1-carboxylate
InChI:
InChI=1S/C7H10O3/c1-9-6(8)7-4-2-3-5(7)10-7/h5H,2-4H2,1H3
InChI Key:
SZAQFDMOPZOEBX-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCCC2O1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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