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36897-94-6 | 3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS No: 36897-94-6 Catalog No: AG003MXP MDL No:MFCD00167743
Product Description
Catalog Number:
AG003MXP
Chemical Name:
3-(Methoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Number:
36897-94-6
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD00167743
IUPAC Name:
3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)
InChI Key:
JYZKYCYHXBQTCY-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2C=CC(C1C(=O)O)C2
EC Number:
225-494-7
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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