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113934-48-8 | Propanedioic acid, 2-(1-hydroxyethylidene)-, 1,3-dimethyl ester
CAS No: 113934-48-8 Catalog No: AG000A3P MDL No:
Product Description
Catalog Number:
AG000A3P
Chemical Name:
Propanedioic acid, 2-(1-hydroxyethylidene)-, 1,3-dimethyl ester
CAS Number:
113934-48-8
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
IUPAC Name:
dimethyl 2-(1-hydroxyethylidene)propanedioate
InChI:
InChI=1S/C7H10O5/c1-4(8)5(6(9)11-2)7(10)12-3/h8H,1-3H3
InChI Key:
SUXIIGCZYKTTFS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C(O)C)C(=O)OC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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