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157254-35-8 | 10H-Phenoxazine-10-propanoic acid, 4-carboxy-
CAS No: 157254-35-8 Catalog No: AG001PBB MDL No:
Product Description
Catalog Number:
AG001PBB
Chemical Name:
10H-Phenoxazine-10-propanoic acid, 4-carboxy-
CAS Number:
157254-35-8
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
10-(2-carboxyethyl)phenoxazine-4-carboxylic acid
InChI:
InChI=1S/C16H13NO5/c18-14(19)8-9-17-11-5-1-2-7-13(11)22-15-10(16(20)21)4-3-6-12(15)17/h1-7H,8-9H2,(H,18,19)(H,20,21)
InChI Key:
OVUVGMBWBGDPRD-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1c2ccccc2Oc2c1cccc2C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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