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88888-31-7 | Methyl 4-hydroxybicyclo[2.2.1]heptane-1-carboxylate
CAS No: 88888-31-7 Catalog No: AG0049J9 MDL No:MFCD28502791
Product Description
Catalog Number:
AG0049J9
Chemical Name:
Methyl 4-hydroxybicyclo[2.2.1]heptane-1-carboxylate
CAS Number:
88888-31-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD28502791
IUPAC Name:
methyl 4-hydroxybicyclo[2.2.1]heptane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-12-7(10)8-2-4-9(11,6-8)5-3-8/h11H,2-6H2,1H3
InChI Key:
CHVHUPRPWDQWSU-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(C2)(CC1)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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