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7372-13-6 | 2,3-dihydro-1h-3a,7a-epoxyinden-2-ol
CAS No: 7372-13-6 Catalog No: AG005LMT MDL No:
Product Description
Catalog Number:
AG005LMT
Chemical Name:
2,3-dihydro-1h-3a,7a-epoxyinden-2-ol
CAS Number:
7372-13-6
Molecular Formula:
C9H10O2
Molecular Weight:
150.1745
IUPAC Name:
2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C11H13NO5/c13-9-4-2-1-3-8(9)5-12(6-10(14)15)7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChI Key:
WEEDGRHKIMNHJA-UHFFFAOYSA-N
SMILES:
OC1CC23C(C1)(O3)C=CC=C2
EC Number:
230-928-3
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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