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113020-21-6 | 1-(Methoxycarbonyl)cyclopropane-1-carboxylic acid
CAS No: 113020-21-6 Catalog No: AG0034O5 MDL No:MFCD06800496
Product Description
Catalog Number:
AG0034O5
Chemical Name:
1-(Methoxycarbonyl)cyclopropane-1-carboxylic acid
CAS Number:
113020-21-6
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD06800496
IUPAC Name:
1-methoxycarbonylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)
InChI Key:
IZYOHLOUZVEIOS-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CC1)C(=O)O
Properties
Complexity:
180
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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