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100145-04-8 | 2-Pentalenecarboxylic acid, octahydro-2-hydroxy-
CAS No: 100145-04-8 Catalog No: AG00013I MDL No:
Product Description
Catalog Number:
AG00013I
Chemical Name:
2-Pentalenecarboxylic acid, octahydro-2-hydroxy-
CAS Number:
100145-04-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
IUPAC Name:
2-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
InChI:
InChI=1S/C9H14O3/c10-8(11)9(12)4-6-2-1-3-7(6)5-9/h6-7,12H,1-5H2,(H,10,11)
InChI Key:
REHDMQHODVWWPT-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)CC2C(C1)CCC2
Properties
Complexity:
200
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:
2
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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