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13279-88-4 | 1,2-Cyclopropanedicarboxylic acid, 1-methyl ester
CAS No: 13279-88-4 Catalog No: AG00116O MDL No:MFCD08690114
Product Description
Catalog Number:
AG00116O
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 1-methyl ester
CAS Number:
13279-88-4
Molecular Formula:
C6H7O4-
Molecular Weight:
143.1174
MDL Number:
MFCD08690114
IUPAC Name:
2-methoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H8O4/c1-10-6(9)4-2-3(4)5(7)8/h3-4H,2H2,1H3,(H,7,8)
InChI Key:
IRRAJLZEAOBJIV-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC1C(=O)OC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.126g/mol
Monoisotopic Mass:
144.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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