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(2S,3R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

(2S,3R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Formula: C16H17NO4

SMILES: COC1=CC=CC(NC(=O)[C@@H]2C3CC(C=C3)[C@@H]2C(O)=O)=C1

IUPAC: (2S,3R)-3-[(3-methoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI: InChI=1S/C16H17NO4/c1-21-12-4-2-3-11(8-12)17-15(18)13-9-5-6-10(7-9)14(13)16(19)20/h2-6,8-10,13-14H,7H2,1H3,(H,17,18)(H,19,20)/t9?,10?,13-,14+/m1/s1

Composition: C (66.89%), H (5.96%), N (4.88%), O (22.27%)

Molar Mass: 287.315

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 287.115758031
Formal Charge 0
FSP3 0.37
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BIZXJOLLOODDNH-FEZLSPKCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.64
Topological Polar Surface Area 75.63
Polarizability 29.46
Ring Count 3
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
ChemBridge Corp.
Purity LeadTime Formula PacketSize UnitPrice
95% <4 Days C16H17NO4 $177.10$177.10
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