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84328-14-3 | 3-(Methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
CAS No: 84328-14-3 Catalog No: AG005612 MDL No:
Product Description
Catalog Number:
AG005612
Chemical Name:
3-(Methoxycarbonyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
CAS Number:
84328-14-3
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
3-methoxycarbonylbicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
InChI:
InChI=1S/C10H10O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-6H,4H2,1H3,(H,11,12)
InChI Key:
WPPRQTOKYRDUCP-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C2CC1C=C2)C(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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