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88550-21-4 | Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 3-(methoxymethyl)-
CAS No: 88550-21-4 Catalog No: AG008BTA MDL No:
Product Description
Catalog Number:
AG008BTA
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid, 3-(methoxymethyl)-
CAS Number:
88550-21-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
IUPAC Name:
3-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid
InChI:
InChI=1S/C10H12O3/c1-13-5-8-6-2-3-7(4-6)9(8)10(11)12/h2-3,6-7H,4-5H2,1H3,(H,11,12)
InChI Key:
KTJBMCLOXXHHMD-UHFFFAOYSA-N
SMILES:
COCC1=C(C2CC1C=C2)C(=O)O
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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