200,000+ products from a single source!
sales@angenechem.com
115491-57-1 | 4,8-Methanoazulene-3a(1H)-carboxylic acid, 2,3,4,7,8,8a-hexahydro-1-hydroxy-5,8,8a-trimethyl-, (1R,3aR,4R,8R,8aR)-
CAS No: 115491-57-1 Catalog No: AG000G2M MDL No:
Product Description
Catalog Number:
AG000G2M
Chemical Name:
4,8-Methanoazulene-3a(1H)-carboxylic acid, 2,3,4,7,8,8a-hexahydro-1-hydroxy-5,8,8a-trimethyl-, (1R,3aR,4R,8R,8aR)-
CAS Number:
115491-57-1
Molecular Formula:
C15H22O3
Molecular Weight:
250.3334
IUPAC Name:
5-hydroxy-6,7,10-trimethyltricyclo[5.3.1.02,6]undec-9-ene-2-carboxylic acid
InChI:
InChI=1S/C15H22O3/c1-9-4-6-13(2)8-10(9)15(12(17)18)7-5-11(16)14(13,15)3/h4,10-11,16H,5-8H2,1-3H3,(H,17,18)
InChI Key:
UWZMKQPUYRHXRE-UHFFFAOYSA-N
SMILES:
CC1=CC[C@@]2(C[C@H]1[C@@]1(CC[C@H]([C@]21C)O)C(=O)O)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.338g/mol
Monoisotopic Mass:
250.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.